data_6gwx_residue ############################ # Computer software used # ############################ 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 6gwx _Structure_validation_residue.Date_analyzed 2019-07-05 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 N--CA 1.458 -0.595 0 CA-C-O 120.864 0.277 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -88.87 130.27 35.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -175.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -83.43 122.97 77.23 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.2 151.38 73.72 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.001 1.801 . . . . 0.0 111.836 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.89 126.89 30.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.553 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -83.06 115.72 60.42 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.928 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo . . . . . 0 N--CA 1.459 -0.542 0 C-N-CA 122.272 1.981 . . . . 0.0 110.908 173.839 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -78.39 150.95 77.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.923 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.18 -31.26 65.02 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.28 -29.92 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.744 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -80.66 -32.91 35.97 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.8 -36.75 84.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.237 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.78 87.27 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.258 0.551 . . . . 0.0 110.43 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.6 99.81 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.588 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.0 -45.97 89.89 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.005 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -32.43 72.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.888 0.375 . . . . 0.0 110.711 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.27 -40.92 64.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.319 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.33 -33.4 71.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.109 0.481 . . . . 0.0 110.116 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.973 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.95 -35.93 78.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.953 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.25 -42.32 65.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.224 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.77 -47.23 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -30.39 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.83 -52.88 46.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.02 -32.22 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.566 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.284 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.85 74.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.899 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.76 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.6 t80 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.795 178.665 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 N--CA 1.455 -0.771 0 CA-C-O 120.923 0.301 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -94.83 133.83 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.332 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 63.8 tttp -90.09 130.14 43.38 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 5.2 Cg_exo -75.67 161.25 37.04 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 121.922 1.748 . . . . 0.0 111.885 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -76.68 125.78 29.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -78.66 115.02 48.53 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.766 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 N--CA 1.462 -0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 111.766 177.497 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.964 0.412 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.2 p -84.78 160.52 55.63 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.9 -30.76 59.76 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.45 2.1 . . . . 0.0 111.884 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.769 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.67 -33.33 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.7 -35.4 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.338 174.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.68 93.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.41 98.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -62.95 -44.73 95.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.12 -31.6 71.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.955 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.81 -42.48 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.967 0.413 . . . . 0.0 109.964 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.24 -35.36 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.118 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.36 -40.07 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.992 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.39 88.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.442 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.96 78.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.261 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -63.35 -49.45 73.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.217 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.72 -29.1 70.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HB3' ' HZ3' ' A' ' 29' ' ' LYS . 8.2 ttpm? -64.98 -49.9 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.946 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.63 -33.31 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.34 -37.81 88.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.14 75.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.773 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -1.41 56.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.398 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.9 t80 . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 179.336 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.042 0.351 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -101.38 136.69 40.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.511 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -76.76 129.02 80.32 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.09 155.92 67.22 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.132 1.888 . . . . 0.0 111.519 173.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.476 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 58.8 mttp -79.58 132.66 36.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -85.62 111.55 38.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.39 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 16.2 Cg_exo . . . . . 0 N--CA 1.464 -0.258 0 C-N-CA 122.746 2.297 . . . . 0.0 111.74 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 120.999 0.428 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.6 p -93.31 149.11 36.82 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -54.49 -28.58 55.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.424 2.082 . . . . 0.0 111.848 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.46 -36.31 83.34 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -75.0 -38.13 61.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 109.866 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.14 -35.91 80.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.937 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.42 82.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 0.0 110.26 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.82 89.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.401 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.46 -46.17 89.72 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.747 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.78 -31.75 71.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.647 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -67.2 -44.95 78.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.05 0.452 . . . . 0.0 109.785 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.338 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 tp -63.77 -40.14 95.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.775 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.16 94.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.37 76.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.463 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.11 -51.16 65.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.4 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -63.47 -33.7 76.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.721 0.296 . . . . 0.0 110.357 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.79 -49.66 69.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.261 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.36 -37.37 86.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.156 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.95 -44.87 88.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.93 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.1 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 -25.08 42.44 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.152 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.052 0.453 . . . . 0.0 110.46 -179.461 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo . . . . . 0 C--O 1.236 0.405 0 CA-C-O 120.962 0.317 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.17 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.49 126.69 68.42 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 18.7 Cg_endo -60.9 153.45 63.26 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.18 1.92 . . . . 0.0 111.834 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -78.14 116.19 18.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -66.6 117.94 49.31 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo . . . . . 0 N--CA 1.461 -0.414 0 C-N-CA 122.681 2.254 . . . . 0.0 112.076 176.156 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.464 0 CA-C-O 121.04 0.448 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -83.67 155.1 65.45 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.028 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -54.19 -33.12 73.55 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.376 2.051 . . . . 0.0 112.05 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.98 -29.68 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.916 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -71.13 -31.95 68.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.76 -36.25 80.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.571 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.29 80.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.326 0.584 . . . . 0.0 110.229 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.74 96.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.409 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.407 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 64.5 t80 -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.836 177.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.24 -27.07 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.744 0.307 . . . . 0.0 110.967 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -67.15 -45.38 77.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.959 0.409 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.06 -28.23 57.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.399 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 49.2 tp -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.888 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.51 76.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.774 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.99 72.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.237 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.8 -46.5 78.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.178 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 53.6 mt-10 -60.77 -32.15 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.16 -47.48 76.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.023 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -66.88 -34.96 78.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.601 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.01 -45.98 89.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.96 69.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.27 -30.71 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 t80 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.525 179.883 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo . . . . . 0 N--CA 1.463 -0.267 0 CA-C-O 121.001 0.334 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -82.12 122.88 28.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -90.67 121.36 68.33 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.064 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.18 152.95 62.35 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.176 1.917 . . . . 0.0 111.485 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.39 121.65 16.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.67 111.1 8.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.94 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 C-N-CA 123.084 2.523 . . . . 0.0 112.486 179.042 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.732 0.301 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -78.22 153.65 79.57 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.406 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.9 -28.35 77.04 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.284 1.989 . . . . 0.0 111.488 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.78 -36.19 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.354 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -68.16 -33.54 74.64 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.74 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.1 mm? -64.53 -42.58 95.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.323 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.8 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 0.0 110.315 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.67 98.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.519 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -62.33 -46.93 86.49 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.745 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.28 -30.26 70.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.73 -46.35 46.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.379 . . . . 0.0 110.269 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.05 -31.8 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.245 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 30.9 tp -65.77 -41.34 92.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.184 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.85 97.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.401 178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.34 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.516 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.04 -49.34 70.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.915 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 50.7 mt-10 -61.68 -28.79 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 110.542 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.96 -50.32 69.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.937 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.99 -34.41 77.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.39 -42.25 96.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.604 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.77 83.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.897 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.95 -25.8 61.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.443 178.223 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.463 -0.323 0 CA-C-O 120.85 0.271 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.17 132.85 39.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.489 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -92.85 127.62 47.0 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -69.7 159.34 53.82 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.33 2.02 . . . . 0.0 111.641 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.49 116.67 12.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.922 0.391 . . . . 0.0 110.591 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -71.43 128.11 90.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.619 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 C--O 1.238 0.49 0 C-N-CA 122.398 2.065 . . . . 0.0 111.403 172.404 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -77.48 156.23 81.1 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.846 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.44 -35.37 65.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.658 2.239 . . . . 0.0 112.565 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.65 -33.25 75.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 110.765 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -69.98 -38.4 76.04 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 17' ' ' LEU . 3.6 mm? -65.7 -35.99 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.75 84.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.477 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.08 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.503 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -65.2 -45.33 85.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 42.9 mt-10 -61.84 -27.36 68.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.088 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.174 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.09 -32.82 30.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.436 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.21 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.78 75.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.274 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -62.64 -49.42 75.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.874 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -65.04 -53.37 46.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.868 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -67.29 -34.6 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.453 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.92 -41.44 97.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.598 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.49 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.296 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.53 -26.05 41.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.467 . . . . 0.0 110.69 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.2 t80 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.592 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 N--CA 1.457 -0.65 0 CA-C-O 120.986 0.328 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.496 ' HZ1' ' HB2' ' A' ' 3' ' ' LYS . 3.8 ttmp? -89.33 130.95 35.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 -177.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -76.41 120.4 81.52 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.66 154.09 45.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.328 2.019 . . . . 0.0 111.929 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.82 121.27 21.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -73.27 119.35 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.338 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 C-N-CA 122.554 2.17 . . . . 0.0 111.716 176.147 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.872 0.368 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.3 p -82.58 155.51 68.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.723 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -54.88 -32.75 79.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.536 2.157 . . . . 0.0 112.076 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -36.69 84.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -67.35 -38.37 84.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.87 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -67.07 -43.38 82.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.837 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.22 78.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.093 0.473 . . . . 0.0 110.455 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -61.75 -44.69 96.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.275 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.83 -41.17 97.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.968 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -59.0 -31.55 68.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -75.56 -41.38 54.94 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.095 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.9 mt-10 -63.46 -36.82 85.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.269 0.557 . . . . 0.0 109.858 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 28' ' ' GLU . 42.9 tp -64.34 -44.97 89.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.053 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.92 97.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.566 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.01 92.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.546 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -65.33 -47.99 74.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.075 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 76.3 mm-40 -60.67 -30.78 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.024 0.44 . . . . 0.0 110.517 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.76 -47.46 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.673 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.64 -34.86 76.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.903 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -64.28 -39.9 94.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.98 74.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.83 4.2 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.192 0.52 . . . . 0.0 111.208 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.071 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 N--CA 1.462 -0.364 0 CA-C-O 120.956 0.315 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -94.05 120.1 33.83 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.305 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.86 128.99 63.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.37 145.34 94.24 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.072 1.848 . . . . 0.0 111.638 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.58 113.51 16.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.046 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.54 117.53 41.85 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.644 -174.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo . . . . . 0 N--CA 1.457 -0.618 0 C-N-CA 122.528 2.152 . . . . 0.0 111.172 173.157 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -83.0 157.46 66.2 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -54.68 -29.23 60.52 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.423 2.082 . . . . 0.0 111.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.63 -35.32 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.511 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -73.45 -30.82 63.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.324 0.583 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.11 -25.42 66.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.004 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.76 93.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.72 98.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.535 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -61.54 -48.23 81.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.535 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -62.42 -32.44 73.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -67.19 -45.46 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.077 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.54 -31.14 63.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.383 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.28 -42.78 96.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.368 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.05 96.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.487 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -42.32 88.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.322 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -62.42 -47.05 85.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.04 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.79 -30.19 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.659 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -49.14 68.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.08 -35.89 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.401 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.82 -39.13 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.802 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.46 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.97 48.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.079 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.514 -178.868 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.462 -0.333 0 CA-C-O 120.729 0.221 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -85.71 126.54 34.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 62.4 tttp -75.46 125.48 88.7 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 13.2 Cg_exo -66.02 152.4 81.43 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.795 1.663 . . . . 0.0 111.549 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -68.14 110.92 4.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.892 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -74.9 120.55 82.14 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.788 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 C--O 1.238 0.477 0 C-N-CA 122.592 2.194 . . . . 0.0 111.36 172.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.2 p -83.93 153.38 63.65 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.17 -31.92 67.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.51 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.552 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -70.35 -34.2 72.36 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.956 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.8 mm? -67.1 -40.38 86.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.9 90.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.301 0.572 . . . . 0.0 110.122 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.97 96.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.572 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -60.52 -42.39 96.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.496 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 51.0 mt-10 -61.48 -32.42 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.837 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.33 -39.05 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.279 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.98 -31.66 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 109.781 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.077 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.97 87.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.77 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.48 72.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.082 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -62.3 -46.81 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.048 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.31 -31.67 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.49 -48.63 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 109.891 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.77 -35.09 79.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.483 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.62 -40.83 96.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.74 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.21 -32.97 65.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.0 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 N--CA 1.459 -0.526 0 CA-C-O 120.952 0.313 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -88.49 138.02 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.885 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -79.24 128.34 76.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -71.4 151.79 59.99 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.095 1.863 . . . . 0.0 111.07 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -78.35 131.48 37.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -71.08 124.6 91.28 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.584 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--O 1.237 0.433 0 C-N-CA 122.524 2.149 . . . . 0.0 112.313 176.294 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.089 0.471 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 p -75.97 155.72 84.55 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.185 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.44 -33.94 69.36 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.575 2.183 . . . . 0.0 112.072 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.08 -32.73 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -76.36 -34.71 58.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.888 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.74 -38.45 86.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.287 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.24 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.535 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -62.42 -46.23 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.0 -32.12 71.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.99 -41.68 90.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.343 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.44 -29.07 46.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.31 -39.18 93.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.771 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.39 93.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.525 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.343 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.6 -48.8 75.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.866 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.24 -29.26 70.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.13 -50.58 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.169 0.509 . . . . 0.0 110.184 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.55 -31.01 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.34 -39.47 93.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.464 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.89 75.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.144 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -14.87 56.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.8 t80 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 110.337 179.743 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.461 -0.394 0 CA-C-O 120.815 0.256 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.521 ' HZ2' ' HB3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 37.1 ttmt -78.08 138.2 60.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.7 Cg_exo -73.38 159.55 46.45 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.346 2.031 . . . . 0.0 111.838 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -80.7 122.42 27.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.301 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.05 113.74 51.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.507 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo . . . . . 0 C--O 1.235 0.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.007 178.603 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -83.35 153.53 65.71 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.87 -28.05 56.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.568 2.179 . . . . 0.0 111.782 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.47 -36.82 85.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.41 -28.0 56.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.997 0.427 . . . . 0.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.97 -35.68 81.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.171 173.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.18 84.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.136 0.493 . . . . 0.0 110.256 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -63.26 -45.68 90.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.304 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.85 -45.55 94.08 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.951 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.93 -31.55 72.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.821 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.47 -43.71 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 109.947 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 44.3 mt-10 -66.05 -37.95 87.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.79 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.53 -39.89 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.248 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.77 97.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.766 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.89 91.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.037 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.95 -48.1 80.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.044 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.98 -33.69 74.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.655 0.264 . . . . 0.0 110.681 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -67.38 -48.64 66.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.196 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.63 -34.16 77.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 109.98 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.41 -38.45 91.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.27 -27.17 68.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.034 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 -5.12 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.162 0.506 . . . . 0.0 110.352 178.894 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.456 -0.681 0 CA-C-O 121.042 0.351 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -89.05 122.5 32.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.497 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 39.5 ttpt -86.05 130.62 49.51 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 1.8 Cg_endo -78.65 154.75 27.23 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.079 1.853 . . . . 0.0 111.482 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -72.39 131.13 42.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.54 112.71 18.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo . . . . . 0 C--O 1.233 0.238 0 C-N-CA 122.754 2.302 . . . . 0.0 112.34 -179.261 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 120.928 0.394 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -91.26 156.39 43.73 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.375 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.43 -31.85 87.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.303 2.002 . . . . 0.0 111.843 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -65.79 -33.32 75.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.205 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.044 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.0 mm? -65.34 -37.74 87.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.249 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.36 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.519 . . . . 0.0 110.334 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.44 96.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.503 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -62.02 -44.14 97.34 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.791 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 47.4 mt-10 -61.46 -28.94 69.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.704 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -75.91 -40.76 53.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.056 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.33 -37.29 85.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.433 0.635 . . . . 0.0 109.735 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.94 -39.16 93.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.967 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.12 92.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.07 88.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.248 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -64.93 -51.5 61.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.4 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.2 -23.91 67.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -65.02 -52.76 54.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.801 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.69 -41.11 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.727 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.98 81.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.071 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.91 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.535 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 N--CA 1.457 -0.635 0 CA-C-O 120.841 0.267 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.48 ' HZ1' ' HB3' ' A' ' 3' ' ' LYS . 6.3 ttpm? -93.0 139.91 30.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -89.57 129.28 47.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.494 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 12.2 Cg_endo -58.61 155.99 34.18 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.701 1.601 . . . . 0.0 110.952 171.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -88.58 135.01 33.71 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.959 0.409 . . . . 0.0 111.314 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.43 116.33 52.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.727 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo . . . . . 0 N--CA 1.464 -0.253 0 C-N-CA 122.495 2.13 . . . . 0.0 111.705 175.606 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -90.24 157.05 45.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.565 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.0 -32.82 70.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.474 2.116 . . . . 0.0 111.939 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.87 -37.21 85.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.536 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -73.86 -36.55 64.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.792 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -67.73 -38.07 83.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.687 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.78 91.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.31 92.04 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.432 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.494 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 68.5 t80 -63.94 -49.12 73.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.88 177.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.29 -32.99 73.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.103 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.81 -45.06 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 110.327 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.35 -30.65 62.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.526 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 48.2 tp -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.84 176.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.01 95.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.699 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.44 88.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -63.87 -47.72 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.906 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 55.6 mt-10 -62.37 -27.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -63.16 -50.48 70.22 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.6 -31.79 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.453 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.2 -44.58 87.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.92 86.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.956 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.1 t80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.557 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo . . . . . 0 N--CA 1.46 -0.478 0 N-CA-C 111.498 -0.232 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -88.4 119.65 29.03 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.959 0.409 . . . . 0.0 110.526 -175.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.65 129.1 66.86 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.392 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -61.18 139.5 84.0 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.814 1.676 . . . . 0.0 110.797 172.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.57 130.41 35.04 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.219 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -71.93 115.93 43.26 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.037 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo . . . . . 0 C--N 1.342 0.229 0 C-N-CA 122.734 2.289 . . . . 0.0 112.016 178.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 120.738 0.304 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -76.73 157.27 82.21 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.703 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.53 -32.37 53.08 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.707 2.271 . . . . 0.0 112.178 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.0 -34.29 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.539 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -72.38 -34.3 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.3 -36.95 84.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.499 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.39 86.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.19 0.519 . . . . 0.0 110.081 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.16 83.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.654 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -60.07 -43.28 95.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.457 175.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.93 -33.76 76.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -70.9 -45.08 64.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.322 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.91 -29.04 66.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.261 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.64 -40.22 96.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.155 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.43 94.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 -38.25 76.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.522 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.76 -48.14 70.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.303 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -62.33 -21.54 65.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.689 0.281 . . . . 0.0 111.133 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -62.53 -53.3 56.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.403 0.62 . . . . 0.0 109.495 173.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.97 -32.71 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.818 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.58 -39.28 93.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.621 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.57 85.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.191 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.24 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.046 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.394 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.461 -0.407 0 CA-C-O 120.728 0.22 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.33 145.46 24.95 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -69.48 135.71 88.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.48 158.57 12.52 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 122.741 2.294 . . . . 0.0 113.465 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -55.47 124.6 17.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.992 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -85.42 115.59 62.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.201 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 C--O 1.236 0.383 0 C-N-CA 122.754 2.303 . . . . 0.0 112.148 177.256 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -75.9 157.3 83.81 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.73 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.11 -30.38 60.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.255 1.97 . . . . 0.0 111.886 173.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.657 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.28 -33.1 67.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.9 mm? -65.6 -36.72 84.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.52 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.76 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.988 0.423 . . . . 0.0 110.254 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.51 98.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.598 175.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.38 -44.13 97.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.717 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 49.9 mt-10 -59.81 -33.82 72.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.392 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.13 -45.92 72.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.147 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.85 -33.15 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.177 0.513 . . . . 0.0 110.338 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.27 -38.59 91.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.204 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.53 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.52 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.078 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.36 -50.01 69.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.925 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.38 -30.09 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HB2' ' HZ3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -65.97 -50.74 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 176.739 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.79 -34.13 77.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.254 0.55 . . . . 0.0 110.121 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.86 -35.69 81.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.498 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.62 69.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.323 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.84 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.9 t80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -179.117 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.459 -0.5 0 CA-C-O 121.017 0.34 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HB2' ' HZ3' ' A' ' 3' ' ' LYS . 4.0 ttmp? -79.7 126.49 31.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -86.88 119.08 70.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.76 151.06 40.31 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.269 1.979 . . . . 0.0 111.987 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.18 128.69 34.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.689 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -69.44 115.67 34.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.56 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo . . . . . 0 C--N 1.345 0.383 0 C-N-CA 123.181 2.587 . . . . 0.0 113.172 -176.654 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.152 0.501 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 p -84.45 154.3 62.47 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.247 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.4 -32.42 62.12 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.618 2.212 . . . . 0.0 112.491 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.1 -40.52 96.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.473 . . . . 0.0 110.552 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.14 -35.47 66.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.04 -38.58 88.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.19 96.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.48 81.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.435 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.74 -47.32 85.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.094 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.34 -33.09 73.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -70.48 -42.86 70.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.36 -33.07 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -65.08 -45.93 83.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.286 177.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.15 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.474 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.46 72.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.566 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.68 -49.09 76.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.74 -34.15 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 110.434 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -65.25 -53.68 40.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.96 -32.13 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.092 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.07 -39.02 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.618 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 -28.17 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.476 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.33 -20.2 30.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.3 t80 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.548 -178.58 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.461 -0.395 0 CA-C-O 120.833 0.264 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -100.1 138.67 36.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.0 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -84.5 119.34 72.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.47 152.92 80.44 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.131 1.887 . . . . 0.0 111.654 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -85.58 125.74 33.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.641 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.57 119.89 78.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.913 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.236 0.41 0 C-N-CA 122.688 2.259 . . . . 0.0 112.292 176.699 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.4 p -102.17 147.31 33.76 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.37 -33.38 66.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.418 2.079 . . . . 0.0 111.962 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.67 -36.67 85.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.362 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -78.06 -33.78 50.73 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.39 -34.68 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.161 174.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.23 90.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.035 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.57 89.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.506 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.84 -46.98 87.1 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.58 -25.72 68.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.696 0.284 . . . . 0.0 111.103 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -70.39 -47.03 62.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.13 -37.13 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.354 0.597 . . . . 0.0 109.687 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.97 -40.2 95.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.501 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.41 90.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -40.67 69.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.374 177.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -63.93 -48.22 77.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.38 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -59.81 -32.82 71.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.255 0.55 . . . . 0.0 110.078 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.06 -54.59 20.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.184 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.11 -31.6 72.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.168 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.86 -41.54 97.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.69 -35.81 80.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.716 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.65 -28.84 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.296 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.069 0.461 . . . . 0.0 110.556 -178.309 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 N--CA 1.458 -0.563 0 CA-C-O 120.906 0.294 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -98.09 133.64 42.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HD2' ' HD2' ' A' ' 5' ' ' PRO . 24.4 tptm -67.12 118.91 60.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD2' ' HD2' ' A' ' 4' ' ' LYS . 11.3 Cg_endo -55.95 145.78 72.11 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.502 2.135 . . . . 0.0 112.441 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.88 121.92 17.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.929 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -82.04 115.5 57.82 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.461 -0.413 0 C-N-CA 122.425 2.083 . . . . 0.0 111.281 176.813 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -80.76 153.18 72.89 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.822 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.36 -27.87 41.1 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.696 2.264 . . . . 0.0 112.201 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.94 -32.6 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -78.41 -32.34 48.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.32 -35.69 79.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.455 173.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.37 90.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.302 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.6 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.485 174.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -61.94 -43.74 98.22 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.549 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.06 -34.82 75.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -71.42 -40.82 70.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.916 0.389 . . . . 0.0 109.968 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.13 -34.41 77.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.19 -41.85 99.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.168 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.91 96.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.41 73.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.343 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.51 -50.24 68.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.355 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.42 -27.08 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 110.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -64.91 -53.03 52.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.9 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.59 -35.16 80.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.356 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.21 -43.47 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.1 69.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.02 -23.44 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 110.572 -179.198 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 N--CA 1.462 -0.348 0 CA-C-O 121.209 0.421 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.85 142.28 46.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.444 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -85.36 128.63 58.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.19 156.95 56.42 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.243 1.962 . . . . 0.0 111.866 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.73 127.42 33.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.909 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -82.53 116.75 65.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.889 0.376 . . . . 0.0 110.725 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.48 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 72.0 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 C-N-CA 123.001 2.467 . . . . 0.0 111.74 174.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 120.798 0.332 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 p -100.56 155.41 36.39 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.746 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -55.88 -31.92 83.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.05 -31.73 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.857 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.93 -35.91 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.0 mm? -64.95 -35.89 82.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.479 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.7 94.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.078 0.466 . . . . 0.0 110.38 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.07 97.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.576 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.16 -43.85 98.24 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 50.2 mt-10 -61.74 -34.78 76.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.704 0.288 . . . . 0.0 110.633 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 2.8 tmmm? -70.78 -43.84 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -64.41 -38.68 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 0.0 110.044 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.67 -44.15 91.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.29 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -39.57 90.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.644 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.87 82.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.181 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.26 -49.99 69.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.331 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.68 -32.18 72.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.22 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.05 -48.88 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.22 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.93 -33.87 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.87 -40.33 97.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.925 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -32.52 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.199 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.04 -14.01 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.6 t80 . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 110.217 -178.821 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo . . . . . 0 N--CA 1.461 -0.424 0 CA-C-O 120.905 0.294 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.56 127.04 35.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.054 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -83.95 132.47 48.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.853 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.01 161.24 41.55 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.019 1.813 . . . . 0.0 111.771 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.73 125.23 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -83.13 122.54 77.62 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.088 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.236 0.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.268 172.703 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.6 p -85.3 156.02 59.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -55.3 -25.12 45.66 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.608 2.205 . . . . 0.0 111.884 175.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.83 -34.29 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.416 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -79.84 -32.17 40.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.793 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.78 -31.06 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.454 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.51 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.782 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.2 82.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.327 176.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.86 -47.22 86.02 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.65 -28.47 69.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.042 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -68.76 -47.26 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.089 0.471 . . . . 0.0 110.155 174.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -71.46 -30.23 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.033 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.35 -40.0 94.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.51 90.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.63 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.438 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -65.04 -46.69 80.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.816 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.82 -30.96 70.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.27 -48.38 73.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -66.74 -36.81 83.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.581 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.87 -41.34 97.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.601 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.48 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.247 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.06 -27.19 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.3 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.508 0.671 . . . . 0.0 110.421 -179.474 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -45.1 118.2 1.91 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.907 2.405 . . . . 0.0 112.22 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -79.89 143.9 16.73 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.348 2.032 . . . . 0.0 111.658 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -88.87 130.27 35.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -175.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -83.43 122.97 77.23 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.2 151.38 73.72 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.001 1.801 . . . . 0.0 111.836 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.89 126.89 30.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.553 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -83.06 115.72 60.42 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.928 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -69.29 133.81 27.37 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.272 1.981 . . . . 0.0 110.908 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.11 -145.84 7.05 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.686 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.09 -17.07 53.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.229 0.538 . . . . 0.0 110.606 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -87.58 25.23 1.5 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.33 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.51 156.98 46.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.972 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -78.39 150.95 77.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.923 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.18 -31.26 65.02 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.28 -29.92 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.744 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -80.66 -32.91 35.97 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.8 -36.75 84.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.237 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.78 87.27 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.258 0.551 . . . . 0.0 110.43 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.6 99.81 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.588 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.0 -45.97 89.89 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.005 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -32.43 72.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.888 0.375 . . . . 0.0 110.711 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.27 -40.92 64.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.319 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.33 -33.4 71.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.109 0.481 . . . . 0.0 110.116 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.973 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.95 -35.93 78.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.953 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.25 -42.32 65.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.224 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.77 -47.23 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -30.39 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.83 -52.88 46.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.02 -32.22 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.566 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.284 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.85 74.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.899 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.76 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -65.51 -34.17 77.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.795 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.254 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.28 109.09 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.702 2.268 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -82.53 147.9 14.15 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.463 2.108 . . . . 0.0 112.411 -176.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -94.83 133.83 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.332 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 63.8 tttp -90.09 130.14 43.38 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 5.2 Cg_exo -75.67 161.25 37.04 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 121.922 1.748 . . . . 0.0 111.885 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -76.68 125.78 29.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -78.66 115.02 48.53 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.766 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -64.5 103.9 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 111.766 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.33 -38.05 13.56 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.996 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -146.73 178.46 8.29 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.42 25.27 15.24 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.576 0.227 . . . . 0.0 111.542 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.0 148.14 26.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.964 0.412 . . . . 0.0 111.272 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.2 p -84.78 160.52 55.63 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.9 -30.76 59.76 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.45 2.1 . . . . 0.0 111.884 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.769 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.67 -33.33 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.7 -35.4 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.338 174.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.68 93.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.41 98.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -62.95 -44.73 95.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.12 -31.6 71.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.955 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.81 -42.48 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.967 0.413 . . . . 0.0 109.964 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.24 -35.36 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.118 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.36 -40.07 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.992 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.39 88.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.442 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.96 78.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.261 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -63.35 -49.45 73.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.217 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.72 -29.1 70.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HB3' ' HZ3' ' A' ' 29' ' ' LYS . 8.2 ttpm? -64.98 -49.9 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.946 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.63 -33.31 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.34 -37.81 88.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.14 75.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.773 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -1.41 56.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.398 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -97.23 120.84 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -50.17 122.47 9.33 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 111.759 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.55 141.0 44.88 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.274 1.983 . . . . 0.0 112.374 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -101.38 136.69 40.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.511 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -76.76 129.02 80.32 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.09 155.92 67.22 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.132 1.888 . . . . 0.0 111.519 173.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 58.8 mttp -79.58 132.66 36.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -85.62 111.55 38.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.39 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 16.2 Cg_exo -67.1 108.2 1.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.746 2.297 . . . . 0.0 111.74 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.33 -45.67 1.06 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.686 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -96.17 130.94 43.1 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.006 -0.114 . . . . 0.0 110.827 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 56.2 49.13 15.97 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.471 0.482 . . . . 0.0 111.105 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.11 141.22 52.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.344 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.6 p -93.31 149.11 36.82 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -54.49 -28.58 55.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.424 2.082 . . . . 0.0 111.848 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.46 -36.31 83.34 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -75.0 -38.13 61.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 109.866 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.14 -35.91 80.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.937 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.42 82.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 0.0 110.26 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.82 89.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.401 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.46 -46.17 89.72 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.747 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.78 -31.75 71.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.647 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -67.2 -44.95 78.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.05 0.452 . . . . 0.0 109.785 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.338 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 tp -63.77 -40.14 95.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.775 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.16 94.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.37 76.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.463 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.11 -51.16 65.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.4 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -63.47 -33.7 76.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.721 0.296 . . . . 0.0 110.357 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.79 -49.66 69.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.261 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.36 -37.37 86.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.156 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.95 -44.87 88.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.93 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.1 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 -25.08 42.44 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.152 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -78.07 -47.83 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.052 0.453 . . . . 0.0 110.46 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.18 122.72 10.53 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.927 2.418 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -69.0 147.81 68.61 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.343 2.028 . . . . 0.0 112.34 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.17 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.49 126.69 68.42 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 18.7 Cg_endo -60.9 153.45 63.26 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.18 1.92 . . . . 0.0 111.834 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -78.14 116.19 18.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -66.6 117.94 49.31 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -63.87 121.62 9.39 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.681 2.254 . . . . 0.0 112.076 176.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.61 -44.37 0.13 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.769 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.07 114.31 24.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.209 . . . . 0.0 110.443 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 54.91 72.91 0.44 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.166 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.62 141.24 27.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -83.67 155.1 65.45 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.028 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -54.19 -33.12 73.55 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.376 2.051 . . . . 0.0 112.05 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.98 -29.68 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.916 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -71.13 -31.95 68.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.76 -36.25 80.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.571 173.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.29 80.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.326 0.584 . . . . 0.0 110.229 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.74 96.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.409 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.407 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 64.5 t80 -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.836 177.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.24 -27.07 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.744 0.307 . . . . 0.0 110.967 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -67.15 -45.38 77.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.959 0.409 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.06 -28.23 57.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.399 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 49.2 tp -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.888 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.51 76.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.774 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.99 72.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.237 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.8 -46.5 78.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.178 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 53.6 mt-10 -60.77 -32.15 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.16 -47.48 76.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.023 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -66.88 -34.96 78.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.601 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.01 -45.98 89.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.96 69.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.27 -30.71 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -74.03 -54.45 7.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.525 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.138 -0.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.269 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.92 122.96 12.32 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 123.027 2.485 . . . . 0.0 111.513 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -68.99 144.09 56.91 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.23 1.953 . . . . 0.0 112.083 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -82.12 122.88 28.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -90.67 121.36 68.33 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.064 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.18 152.95 62.35 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.176 1.917 . . . . 0.0 111.485 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.39 121.65 16.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.67 111.1 8.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.94 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -90.43 164.46 4.42 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.084 2.523 . . . . 0.0 112.486 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.03 -113.78 0.88 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -81.49 -9.36 59.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.224 0.535 . . . . 0.0 109.861 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -78.42 -6.5 55.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.021 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.83 173.17 11.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -78.22 153.65 79.57 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.406 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.9 -28.35 77.04 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.284 1.989 . . . . 0.0 111.488 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.78 -36.19 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.354 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -68.16 -33.54 74.64 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.74 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.1 mm? -64.53 -42.58 95.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.323 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.8 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 0.0 110.315 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.67 98.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.519 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -62.33 -46.93 86.49 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.745 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.28 -30.26 70.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.73 -46.35 46.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.379 . . . . 0.0 110.269 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.05 -31.8 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.245 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 30.9 tp -65.77 -41.34 92.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.184 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.85 97.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.401 178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.34 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.516 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.04 -49.34 70.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.915 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 50.7 mt-10 -61.68 -28.79 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 110.542 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.96 -50.32 69.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.937 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.99 -34.41 77.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.39 -42.25 96.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.604 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.77 83.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.897 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.95 -25.8 61.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.09 -41.85 76.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.443 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.11 -0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.79 123.08 12.54 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 123.053 2.502 . . . . 0.0 111.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.96 150.57 34.33 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.402 2.068 . . . . 0.0 112.057 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.17 132.85 39.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.489 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -92.85 127.62 47.0 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -69.7 159.34 53.82 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.33 2.02 . . . . 0.0 111.641 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.49 116.67 12.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.922 0.391 . . . . 0.0 110.591 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -71.43 128.11 90.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.619 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.5 145.92 92.51 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.398 2.065 . . . . 0.0 111.403 172.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.01 -128.88 5.25 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.479 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.87 -24.33 28.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 0.0 110.82 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -91.73 64.41 4.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.351 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.35 143.14 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.594 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -77.48 156.23 81.1 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.846 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.44 -35.37 65.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.658 2.239 . . . . 0.0 112.565 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.65 -33.25 75.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 110.765 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -69.98 -38.4 76.04 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' ' 17' ' ' LEU . 3.6 mm? -65.7 -35.99 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.75 84.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.477 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.08 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.503 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -65.2 -45.33 85.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 42.9 mt-10 -61.84 -27.36 68.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.088 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.174 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.09 -32.82 30.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.436 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.21 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.78 75.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.274 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -62.64 -49.42 75.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.874 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -65.04 -53.37 46.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.868 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -67.29 -34.6 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.453 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.92 -41.44 97.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.598 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.49 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.296 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.53 -26.05 41.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.467 . . . . 0.0 110.69 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -84.03 -33.85 24.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.592 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.282 -0.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.174 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.53 116.51 3.03 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.827 2.351 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -78.95 144.86 19.27 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.247 1.965 . . . . 0.0 111.891 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.496 ' HZ1' ' HB2' ' A' ' 3' ' ' LYS . 3.8 ttmp? -89.33 130.95 35.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 -177.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -76.41 120.4 81.52 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.66 154.09 45.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.328 2.019 . . . . 0.0 111.929 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.82 121.27 21.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -73.27 119.35 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.338 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -83.25 162.6 15.23 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.554 2.17 . . . . 0.0 111.716 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.3 -36.51 0.12 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.96 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -73.41 100.76 3.3 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.432 HD21 ' N ' ' A' ' 11' ' ' ASN . 0.9 OUTLIER 65.51 29.87 10.96 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.167 -179.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.39 151.85 24.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.872 0.368 . . . . 0.0 110.982 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.3 p -82.58 155.51 68.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.723 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -54.88 -32.75 79.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.536 2.157 . . . . 0.0 112.076 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -36.69 84.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -67.35 -38.37 84.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.87 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -67.07 -43.38 82.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.837 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.22 78.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.093 0.473 . . . . 0.0 110.455 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -61.75 -44.69 96.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.275 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.83 -41.17 97.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.968 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -59.0 -31.55 68.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -75.56 -41.38 54.94 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.095 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.9 mt-10 -63.46 -36.82 85.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.269 0.557 . . . . 0.0 109.858 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' O ' ' HG2' ' A' ' 28' ' ' GLU . 42.9 tp -64.34 -44.97 89.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.053 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.92 97.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.566 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.01 92.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.546 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -65.33 -47.99 74.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.075 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 76.3 mm-40 -60.67 -30.78 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.024 0.44 . . . . 0.0 110.517 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.76 -47.46 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.673 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.64 -34.86 76.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.903 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -64.28 -39.9 94.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.98 74.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.83 4.2 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.192 0.52 . . . . 0.0 111.208 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -110.53 136.59 49.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.584 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.38 118.21 5.13 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 123.635 2.89 . . . . 0.0 112.738 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -61.42 146.54 97.04 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.473 2.115 . . . . 0.0 111.875 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -94.05 120.1 33.83 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.305 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.86 128.99 63.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.37 145.34 94.24 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.072 1.848 . . . . 0.0 111.638 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.58 113.51 16.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.046 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.54 117.53 41.85 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.644 -174.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -70.7 109.56 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.528 2.152 . . . . 0.0 111.172 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.62 -48.08 0.31 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.672 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -83.98 118.89 24.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 58.82 74.79 0.42 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.268 0.556 . . . . 0.0 110.09 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.41 134.82 4.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.754 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -83.0 157.46 66.2 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -54.68 -29.23 60.52 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.423 2.082 . . . . 0.0 111.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.63 -35.32 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.511 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -73.45 -30.82 63.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.324 0.583 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.11 -25.42 66.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.004 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.76 93.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.72 98.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.535 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -61.54 -48.23 81.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.535 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -62.42 -32.44 73.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -67.19 -45.46 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.077 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.54 -31.14 63.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.383 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.28 -42.78 96.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.368 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.05 96.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.487 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -42.32 88.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.322 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -62.42 -47.05 85.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.04 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.79 -30.19 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.659 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -49.14 68.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.08 -35.89 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.401 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.82 -39.13 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.802 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.46 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.97 48.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.079 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -84.01 91.06 7.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.514 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.281 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -55.87 122.42 11.72 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.655 2.237 . . . . 0.0 111.722 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -74.62 136.89 21.89 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.3 2.0 . . . . 0.0 111.857 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -85.71 126.54 34.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 62.4 tttp -75.46 125.48 88.7 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 13.2 Cg_exo -66.02 152.4 81.43 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.795 1.663 . . . . 0.0 111.549 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -68.14 110.92 4.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.892 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -74.9 120.55 82.14 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.788 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.57 149.98 79.82 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.592 2.194 . . . . 0.0 111.36 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.55 -97.83 0.58 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.302 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -82.14 -37.03 26.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.924 0.392 . . . . 0.0 111.831 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -108.85 70.44 0.74 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.128 0.49 . . . . 0.0 110.666 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.91 151.74 16.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.534 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.2 p -83.93 153.38 63.65 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.17 -31.92 67.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.51 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.552 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -70.35 -34.2 72.36 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.956 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.8 mm? -67.1 -40.38 86.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.9 90.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.301 0.572 . . . . 0.0 110.122 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.97 96.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.572 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -60.52 -42.39 96.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.496 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 51.0 mt-10 -61.48 -32.42 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.837 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.33 -39.05 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.279 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.98 -31.66 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 109.781 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.077 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.97 87.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.77 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.48 72.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.082 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -62.3 -46.81 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.048 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.31 -31.67 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.49 -48.63 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 109.891 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.77 -35.09 79.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.483 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.62 -40.83 96.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.74 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.21 -32.97 65.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -70.04 -44.3 69.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.196 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -57.31 113.75 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.969 2.446 . . . . 0.0 111.765 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -83.2 143.7 11.42 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.479 2.119 . . . . 0.0 112.151 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -88.49 138.02 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.885 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -79.24 128.34 76.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -71.4 151.79 59.99 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.095 1.863 . . . . 0.0 111.07 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -78.35 131.48 37.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -71.08 124.6 91.28 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.584 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.5 156.91 10.33 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.524 2.149 . . . . 0.0 112.313 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.66 -173.75 40.78 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.632 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.78 -9.15 59.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.137 0.494 . . . . 0.0 110.802 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -96.39 12.46 31.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.02 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.76 151.59 21.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.089 0.471 . . . . 0.0 111.2 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 p -75.97 155.72 84.55 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.185 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.44 -33.94 69.36 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.575 2.183 . . . . 0.0 112.072 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.08 -32.73 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -76.36 -34.71 58.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.888 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.74 -38.45 86.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.287 174.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.24 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.535 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -62.42 -46.23 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.0 -32.12 71.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.99 -41.68 90.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.343 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.44 -29.07 46.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.31 -39.18 93.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.771 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.39 93.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.525 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.343 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.6 -48.8 75.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.866 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.24 -29.26 70.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.13 -50.58 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.169 0.509 . . . . 0.0 110.184 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.55 -31.01 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.34 -39.47 93.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.464 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.89 75.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.144 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -14.87 56.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -91.05 -33.86 15.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 110.337 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.218 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.46 115.66 2.35 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 123.14 2.56 . . . . 0.0 112.22 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -85.57 153.48 10.38 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.901 2.401 . . . . 0.0 112.34 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.521 ' HZ2' ' HB3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 37.1 ttmt -78.08 138.2 60.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.7 Cg_exo -73.38 159.55 46.45 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.346 2.031 . . . . 0.0 111.838 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -80.7 122.42 27.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.301 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.05 113.74 51.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.507 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.61 143.45 98.41 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.007 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.29 -148.39 23.85 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.664 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.18 -31.82 70.7 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 111.719 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -85.71 25.61 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.572 -174.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.72 153.0 41.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.723 0.297 . . . . 0.0 110.668 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -83.35 153.53 65.71 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.87 -28.05 56.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.568 2.179 . . . . 0.0 111.782 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.47 -36.82 85.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.41 -28.0 56.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.997 0.427 . . . . 0.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.97 -35.68 81.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.171 173.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.18 84.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.136 0.493 . . . . 0.0 110.256 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -63.26 -45.68 90.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.304 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.85 -45.55 94.08 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.951 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.93 -31.55 72.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.821 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.47 -43.71 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 109.947 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 44.3 mt-10 -66.05 -37.95 87.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.79 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.53 -39.89 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.248 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.77 97.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.766 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.89 91.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.037 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.95 -48.1 80.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.044 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.98 -33.69 74.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.655 0.264 . . . . 0.0 110.681 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -67.38 -48.64 66.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.196 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.63 -34.16 77.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 109.98 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.41 -38.45 91.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.27 -27.17 68.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.034 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 -5.12 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -101.21 -30.14 11.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.162 0.506 . . . . 0.0 110.352 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.192 -0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.87 121.27 7.84 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.12 2.547 . . . . 0.0 112.028 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -73.29 142.82 34.29 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.19 1.926 . . . . 0.0 111.749 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -89.05 122.5 32.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.497 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 39.5 ttpt -86.05 130.62 49.51 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 1.8 Cg_endo -78.65 154.75 27.23 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.079 1.853 . . . . 0.0 111.482 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -72.39 131.13 42.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.54 112.71 18.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -62.51 118.37 5.26 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.754 2.302 . . . . 0.0 112.34 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.43 -46.82 0.1 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.804 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -89.59 106.51 18.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.2 t30 65.84 79.31 0.25 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.816 0.698 . . . . 0.0 110.637 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.14 144.06 21.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -91.26 156.39 43.73 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.375 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.43 -31.85 87.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.303 2.002 . . . . 0.0 111.843 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -65.79 -33.32 75.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.205 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.044 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.0 mm? -65.34 -37.74 87.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.249 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.36 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.519 . . . . 0.0 110.334 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.44 96.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.503 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -62.02 -44.14 97.34 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.791 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 47.4 mt-10 -61.46 -28.94 69.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.704 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -75.91 -40.76 53.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.056 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.33 -37.29 85.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.433 0.635 . . . . 0.0 109.735 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.94 -39.16 93.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.967 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.12 92.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.07 88.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.248 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -64.93 -51.5 61.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.4 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.2 -23.91 67.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -65.02 -52.76 54.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.801 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.69 -41.11 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.727 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.98 81.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.071 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.91 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -72.01 118.79 15.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.381 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -61.35 116.93 3.72 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.951 2.434 . . . . 0.0 111.85 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -78.69 145.83 20.71 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.198 1.932 . . . . 0.0 111.732 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' HZ1' ' HB3' ' A' ' 3' ' ' LYS . 6.3 ttpm? -93.0 139.91 30.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -89.57 129.28 47.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 12.2 Cg_endo -58.61 155.99 34.18 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.701 1.601 . . . . 0.0 110.952 171.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -88.58 135.01 33.71 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.959 0.409 . . . . 0.0 111.314 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.43 116.33 52.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.727 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.22 116.73 3.57 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.495 2.13 . . . . 0.0 111.705 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.35 -45.07 0.54 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.821 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -98.31 126.38 43.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.833 0.349 . . . . 0.0 110.797 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.57 70.43 0.55 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.548 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.7 134.51 37.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.561 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -90.24 157.05 45.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.565 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.0 -32.82 70.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.474 2.116 . . . . 0.0 111.939 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.87 -37.21 85.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.536 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -73.86 -36.55 64.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.792 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -67.73 -38.07 83.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.687 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.78 91.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.31 92.04 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.432 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.494 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 68.5 t80 -63.94 -49.12 73.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.88 177.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.29 -32.99 73.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.103 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.81 -45.06 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 110.327 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.35 -30.65 62.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.526 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 48.2 tp -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.84 176.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.01 95.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.699 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.44 88.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -63.87 -47.72 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.906 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 55.6 mt-10 -62.37 -27.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -63.16 -50.48 70.22 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.6 -31.79 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.453 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.2 -44.58 87.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.92 86.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.956 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -66.8 -46.27 75.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.992 -0.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.214 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.27 119.95 7.39 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 123.197 2.598 . . . . 0.0 112.05 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -73.05 148.28 44.56 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.408 2.072 . . . . 0.0 111.498 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -88.4 119.65 29.03 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.959 0.409 . . . . 0.0 110.526 -175.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.65 129.1 66.86 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.392 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -61.18 139.5 84.0 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.814 1.676 . . . . 0.0 110.797 172.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.57 130.41 35.04 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.219 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -71.93 115.93 43.26 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.037 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -54.42 116.07 2.82 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.734 2.289 . . . . 0.0 112.016 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.45 15.84 3.16 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.532 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -106.72 -63.65 1.26 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.862 0.363 . . . . 0.0 110.209 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -163.8 92.59 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.151 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.0 155.8 44.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.698 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -76.73 157.27 82.21 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.703 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.53 -32.37 53.08 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.707 2.271 . . . . 0.0 112.178 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.0 -34.29 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.539 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -72.38 -34.3 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.3 -36.95 84.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.499 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.39 86.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.19 0.519 . . . . 0.0 110.081 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.16 83.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.654 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -60.07 -43.28 95.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.457 175.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.93 -33.76 76.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -70.9 -45.08 64.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.322 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.91 -29.04 66.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.261 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.64 -40.22 96.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.155 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.43 94.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 -38.25 76.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.522 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.76 -48.14 70.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.303 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -62.33 -21.54 65.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.689 0.281 . . . . 0.0 111.133 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -62.53 -53.3 56.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.403 0.62 . . . . 0.0 109.495 173.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.97 -32.71 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.818 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.58 -39.28 93.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.621 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.57 85.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.191 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.24 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.046 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -75.13 -33.41 61.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.394 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.67 125.56 19.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.976 2.451 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -75.6 148.48 33.08 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.045 1.83 . . . . 0.0 111.78 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.33 145.46 24.95 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -69.48 135.71 88.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.48 158.57 12.52 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 122.741 2.294 . . . . 0.0 113.465 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -55.47 124.6 17.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.992 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -85.42 115.59 62.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.201 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.89 142.28 97.15 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.754 2.303 . . . . 0.0 112.148 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.45 -179.23 44.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.126 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.25 -27.36 68.6 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.925 0.393 . . . . 0.0 111.033 -176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -78.25 -7.84 57.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.403 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.52 144.23 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -75.9 157.3 83.81 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.73 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.11 -30.38 60.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.255 1.97 . . . . 0.0 111.886 173.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.657 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.28 -33.1 67.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.9 mm? -65.6 -36.72 84.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.52 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.76 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.988 0.423 . . . . 0.0 110.254 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.51 98.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.598 175.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.38 -44.13 97.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.717 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 49.9 mt-10 -59.81 -33.82 72.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.392 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.13 -45.92 72.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.147 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.85 -33.15 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.177 0.513 . . . . 0.0 110.338 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.27 -38.59 91.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.204 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.53 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.52 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.078 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.36 -50.01 69.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.925 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.38 -30.09 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HB2' ' HZ3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -65.97 -50.74 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 176.739 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.79 -34.13 77.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.254 0.55 . . . . 0.0 110.121 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.86 -35.69 81.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.498 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.62 69.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.323 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.84 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -85.0 105.86 16.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.292 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.66 109.88 2.19 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.719 2.946 . . . . 0.0 112.842 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.95 134.81 15.0 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.186 1.924 . . . . 0.0 111.924 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HB2' ' HZ3' ' A' ' 3' ' ' LYS . 4.0 ttmp? -79.7 126.49 31.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -86.88 119.08 70.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.76 151.06 40.31 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.269 1.979 . . . . 0.0 111.987 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.18 128.69 34.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.689 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -69.44 115.67 34.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.56 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.06 121.41 6.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.181 2.587 . . . . 0.0 113.172 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.13 -51.12 0.56 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.472 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -95.95 142.17 28.49 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.0 m120 53.9 39.64 30.66 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.227 0.537 . . . . 0.0 110.363 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.64 85.46 6.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.663 -174.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 p -84.45 154.3 62.47 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.247 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.4 -32.42 62.12 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.618 2.212 . . . . 0.0 112.491 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.1 -40.52 96.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.473 . . . . 0.0 110.552 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.14 -35.47 66.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.04 -38.58 88.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.19 96.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.48 81.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.435 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.74 -47.32 85.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.094 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.34 -33.09 73.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -70.48 -42.86 70.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.36 -33.07 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -65.08 -45.93 83.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.286 177.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.15 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.474 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.46 72.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.566 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.68 -49.09 76.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.74 -34.15 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 110.434 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -65.25 -53.68 40.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.96 -32.13 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.092 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.07 -39.02 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.618 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 -28.17 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.476 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.33 -20.2 30.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -75.09 118.33 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.548 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.431 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -57.29 119.1 6.14 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 123.107 2.538 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.47 137.9 31.52 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.132 1.888 . . . . 0.0 111.568 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -100.1 138.67 36.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.0 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -84.5 119.34 72.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.47 152.92 80.44 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.131 1.887 . . . . 0.0 111.654 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -85.58 125.74 33.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.641 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.57 119.89 78.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.913 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.38 133.31 51.47 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.688 2.259 . . . . 0.0 112.292 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.23 -45.46 0.15 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.327 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.18 110.79 13.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.593 0.235 . . . . 0.0 110.415 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 m120 58.39 40.19 24.53 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.802 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.87 135.21 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.173 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.4 p -102.17 147.31 33.76 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.37 -33.38 66.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.418 2.079 . . . . 0.0 111.962 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.67 -36.67 85.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.362 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -78.06 -33.78 50.73 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.39 -34.68 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.161 174.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.23 90.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.035 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.57 89.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.506 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.84 -46.98 87.1 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.58 -25.72 68.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.696 0.284 . . . . 0.0 111.103 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -70.39 -47.03 62.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.13 -37.13 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.354 0.597 . . . . 0.0 109.687 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.97 -40.2 95.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.501 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.41 90.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -40.67 69.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.374 177.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -63.93 -48.22 77.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.38 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -59.81 -32.82 71.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.255 0.55 . . . . 0.0 110.078 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.06 -54.59 20.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.184 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.11 -31.6 72.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.168 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.86 -41.54 97.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.69 -35.81 80.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.716 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.65 -28.84 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.296 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -80.52 -36.26 33.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.069 0.461 . . . . 0.0 110.556 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.315 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -60.81 117.9 4.71 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 123.17 2.58 . . . . 0.0 112.4 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -77.46 144.1 22.44 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.223 1.949 . . . . 0.0 111.604 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -98.09 133.64 42.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HD2' ' HD2' ' A' ' 5' ' ' PRO . 24.4 tptm -67.12 118.91 60.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD2' ' HD2' ' A' ' 4' ' ' LYS . 11.3 Cg_endo -55.95 145.78 72.11 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.502 2.135 . . . . 0.0 112.441 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.88 121.92 17.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.929 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -82.04 115.5 57.82 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -60.23 140.47 92.3 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.425 2.083 . . . . 0.0 111.281 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.38 -177.8 41.5 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.896 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -74.67 -2.42 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.271 0.558 . . . . 0.0 110.423 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -75.05 -14.82 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.994 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.18 164.63 12.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.485 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -80.76 153.18 72.89 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.822 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.36 -27.87 41.1 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.696 2.264 . . . . 0.0 112.201 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.94 -32.6 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -78.41 -32.34 48.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.32 -35.69 79.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.455 173.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.37 90.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.302 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.6 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.485 174.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -61.94 -43.74 98.22 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.549 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.06 -34.82 75.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -71.42 -40.82 70.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.916 0.389 . . . . 0.0 109.968 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.13 -34.41 77.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.19 -41.85 99.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.168 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.91 96.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.41 73.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.343 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.51 -50.24 68.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.355 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.42 -27.08 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 110.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -64.91 -53.03 52.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.9 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.59 -35.16 80.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.356 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.21 -43.47 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.1 69.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.02 -23.44 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -80.49 -32.7 36.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 110.572 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.071 -0.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.97 121.78 10.58 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.063 2.509 . . . . 0.0 112.028 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.37 144.03 32.15 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.3 2.0 . . . . 0.0 112.526 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.85 142.28 46.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.444 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -85.36 128.63 58.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.19 156.95 56.42 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.243 1.962 . . . . 0.0 111.866 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.73 127.42 33.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.909 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -82.53 116.75 65.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.889 0.376 . . . . 0.0 110.725 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.48 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 72.0 Cg_endo -88.56 160.14 6.53 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.001 2.467 . . . . 0.0 111.74 174.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.99 -69.46 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.7 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -64.91 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.175 0.512 . . . . 0.0 111.179 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -91.24 41.64 1.07 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.026 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . -138.83 169.06 18.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.041 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 p -100.56 155.41 36.39 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.746 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -55.88 -31.92 83.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.05 -31.73 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.857 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.93 -35.91 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.0 mm? -64.95 -35.89 82.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.479 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.7 94.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.078 0.466 . . . . 0.0 110.38 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.07 97.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.576 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.16 -43.85 98.24 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 50.2 mt-10 -61.74 -34.78 76.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.704 0.288 . . . . 0.0 110.633 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.437 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 2.8 tmmm? -70.78 -43.84 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -64.41 -38.68 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 0.0 110.044 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.67 -44.15 91.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.29 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -39.57 90.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.644 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.87 82.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.181 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.26 -49.99 69.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.331 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.68 -32.18 72.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.22 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.05 -48.88 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.22 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.93 -33.87 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.87 -40.33 97.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.925 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -32.52 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.199 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.04 -14.01 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -90.43 90.51 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 110.217 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 116.172 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . 0.495 ' H1 ' ' CD2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -54.34 115.98 2.75 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.928 2.418 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -70.08 142.91 47.73 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.223 1.949 . . . . 0.0 112.215 -176.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.56 127.04 35.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.054 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -83.95 132.47 48.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.853 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -74.01 161.24 41.55 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.019 1.813 . . . . 0.0 111.771 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.73 125.23 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -83.13 122.54 77.62 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.088 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.19 144.56 95.24 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.268 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.62 -161.83 28.46 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.088 -175.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -77.4 -15.7 59.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.776 0.322 . . . . 0.0 110.793 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -86.25 8.39 21.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.02 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.27 157.47 19.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.539 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.6 p -85.3 156.02 59.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -55.3 -25.12 45.66 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.608 2.205 . . . . 0.0 111.884 175.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.83 -34.29 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.416 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -79.84 -32.17 40.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.793 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.78 -31.06 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.454 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.51 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.782 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.2 82.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.327 176.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.86 -47.22 86.02 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.65 -28.47 69.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.042 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -68.76 -47.26 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.089 0.471 . . . . 0.0 110.155 174.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -71.46 -30.23 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.033 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.35 -40.0 94.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.51 90.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.63 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.438 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -65.04 -46.69 80.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.816 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.82 -30.96 70.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.27 -48.38 73.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -66.74 -36.81 83.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.581 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.87 -41.34 97.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.601 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.48 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.247 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.06 -27.19 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.495 ' CD2' ' H1 ' ' A' ' 0' ' ' ACE . 30.3 t80 -88.03 67.79 9.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.508 0.671 . . . . 0.0 110.421 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.99 -0.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 N--CA 1.458 -0.595 0 CA-C-O 120.864 0.277 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -88.87 130.27 35.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -175.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -83.43 122.97 77.23 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.2 151.38 73.72 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.001 1.801 . . . . 0.0 111.836 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.89 126.89 30.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.553 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -83.06 115.72 60.42 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.928 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo . . . . . 0 N--CA 1.459 -0.542 0 C-N-CA 122.272 1.981 . . . . 0.0 110.908 173.839 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -78.39 150.95 77.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.923 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.18 -31.26 65.02 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.28 -29.92 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.744 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -80.66 -32.91 35.97 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -65.8 -36.75 84.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.237 174.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.78 87.27 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.258 0.551 . . . . 0.0 110.43 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.6 99.81 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.588 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.0 -45.97 89.89 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.005 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -32.43 72.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.888 0.375 . . . . 0.0 110.711 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.27 -40.92 64.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.319 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.33 -33.4 71.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.109 0.481 . . . . 0.0 110.116 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.973 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.95 -35.93 78.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.953 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.25 -42.32 65.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.224 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.77 -47.23 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -30.39 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.83 -52.88 46.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.02 -32.22 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.566 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.284 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.85 74.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.899 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.76 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.6 t80 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.795 178.665 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 N--CA 1.455 -0.771 0 CA-C-O 120.923 0.301 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -94.83 133.83 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.332 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 63.8 tttp -90.09 130.14 43.38 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 5.2 Cg_exo -75.67 161.25 37.04 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 121.922 1.748 . . . . 0.0 111.885 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -76.68 125.78 29.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -78.66 115.02 48.53 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.766 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 N--CA 1.462 -0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 111.766 177.497 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.964 0.412 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.2 p -84.78 160.52 55.63 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.9 -30.76 59.76 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.45 2.1 . . . . 0.0 111.884 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.769 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.67 -33.33 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.2 mm? -66.7 -35.4 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.338 174.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.68 93.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.41 98.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -62.95 -44.73 95.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.12 -31.6 71.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.955 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.81 -42.48 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.967 0.413 . . . . 0.0 109.964 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.24 -35.36 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.118 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.36 -40.07 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.992 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.39 88.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.442 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.96 78.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.261 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -63.35 -49.45 73.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.217 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.72 -29.1 70.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.98 -49.9 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.946 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.63 -33.31 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.34 -37.81 88.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.14 75.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.773 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -1.41 56.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.398 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.9 t80 . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 179.336 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.042 0.351 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -101.38 136.69 40.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.511 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -76.76 129.02 80.32 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.09 155.92 67.22 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.132 1.888 . . . . 0.0 111.519 173.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 58.8 mttp -79.58 132.66 36.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -85.62 111.55 38.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.39 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 16.2 Cg_exo . . . . . 0 N--CA 1.464 -0.258 0 C-N-CA 122.746 2.297 . . . . 0.0 111.74 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 120.999 0.428 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.6 p -93.31 149.11 36.82 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -54.49 -28.58 55.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.424 2.082 . . . . 0.0 111.848 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.46 -36.31 83.34 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -75.0 -38.13 61.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 109.866 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.8 mm? -67.14 -35.91 80.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.937 176.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.42 82.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 0.0 110.26 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.82 89.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.401 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.46 -46.17 89.72 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.747 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.78 -31.75 71.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.647 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -67.2 -44.95 78.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.05 0.452 . . . . 0.0 109.785 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.338 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 tp -63.77 -40.14 95.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.775 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.16 94.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.37 76.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.463 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.11 -51.16 65.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.4 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -63.47 -33.7 76.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.721 0.296 . . . . 0.0 110.357 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.79 -49.66 69.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.261 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.36 -37.37 86.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.156 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.95 -44.87 88.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.93 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.1 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 -25.08 42.44 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.152 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.052 0.453 . . . . 0.0 110.46 -179.461 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo . . . . . 0 C--O 1.236 0.405 0 CA-C-O 120.962 0.317 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.17 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.49 126.69 68.42 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 18.7 Cg_endo -60.9 153.45 63.26 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.18 1.92 . . . . 0.0 111.834 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -78.14 116.19 18.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -66.6 117.94 49.31 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo . . . . . 0 N--CA 1.461 -0.414 0 C-N-CA 122.681 2.254 . . . . 0.0 112.076 176.156 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.464 0 CA-C-O 121.04 0.448 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -83.67 155.1 65.45 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.028 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -54.19 -33.12 73.55 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.376 2.051 . . . . 0.0 112.05 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.98 -29.68 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.916 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -71.13 -31.95 68.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.7 mm? -67.76 -36.25 80.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.571 173.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.29 80.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.326 0.584 . . . . 0.0 110.229 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.74 96.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.409 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 64.5 t80 -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.836 177.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.24 -27.07 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.744 0.307 . . . . 0.0 110.967 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -67.15 -45.38 77.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.959 0.409 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.06 -28.23 57.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.399 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 49.2 tp -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.888 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.51 76.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.774 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.99 72.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.237 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.8 -46.5 78.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.178 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 53.6 mt-10 -60.77 -32.15 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.16 -47.48 76.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.023 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -66.88 -34.96 78.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.601 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.01 -45.98 89.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.96 69.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.27 -30.71 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 t80 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.525 179.883 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo . . . . . 0 N--CA 1.463 -0.267 0 CA-C-O 121.001 0.334 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -82.12 122.88 28.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -90.67 121.36 68.33 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.064 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.18 152.95 62.35 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.176 1.917 . . . . 0.0 111.485 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.39 121.65 16.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.67 111.1 8.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.94 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 C-N-CA 123.084 2.523 . . . . 0.0 112.486 179.042 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.732 0.301 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -78.22 153.65 79.57 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.406 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.9 -28.35 77.04 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.284 1.989 . . . . 0.0 111.488 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.78 -36.19 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.354 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -68.16 -33.54 74.64 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.74 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.1 mm? -64.53 -42.58 95.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.323 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.8 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 0.0 110.315 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.67 98.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.519 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -62.33 -46.93 86.49 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.745 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.28 -30.26 70.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.73 -46.35 46.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.379 . . . . 0.0 110.269 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.05 -31.8 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.245 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 30.9 tp -65.77 -41.34 92.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.184 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.85 97.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.401 178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.34 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.516 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.04 -49.34 70.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.915 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 50.7 mt-10 -61.68 -28.79 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 110.542 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.96 -50.32 69.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.937 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.99 -34.41 77.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.39 -42.25 96.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.604 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.77 83.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.897 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.95 -25.8 61.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.443 178.223 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.463 -0.323 0 CA-C-O 120.85 0.271 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.17 132.85 39.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.489 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -92.85 127.62 47.0 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -69.7 159.34 53.82 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.33 2.02 . . . . 0.0 111.641 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.49 116.67 12.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.922 0.391 . . . . 0.0 110.591 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -71.43 128.11 90.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.619 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 C--O 1.238 0.49 0 C-N-CA 122.398 2.065 . . . . 0.0 111.403 172.404 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -77.48 156.23 81.1 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.846 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.44 -35.37 65.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.658 2.239 . . . . 0.0 112.565 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.65 -33.25 75.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 110.765 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -69.98 -38.4 76.04 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.6 mm? -65.7 -35.99 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.75 84.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.477 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.08 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.503 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -65.2 -45.33 85.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 42.9 mt-10 -61.84 -27.36 68.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.088 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.174 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.09 -32.82 30.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.436 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.21 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.78 75.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.274 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CE1' HD22 ' A' ' 31' ' ' LEU . 66.7 t80 -62.64 -49.42 75.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.874 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -65.04 -53.37 46.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.868 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -67.29 -34.6 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.453 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD22 ' CE1' ' A' ' 27' ' ' TYR . 23.6 tp -63.92 -41.44 97.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.598 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.49 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.296 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.53 -26.05 41.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.467 . . . . 0.0 110.69 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.2 t80 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.592 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 N--CA 1.457 -0.65 0 CA-C-O 120.986 0.328 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 3.8 ttmp? -89.33 130.95 35.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 -177.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -76.41 120.4 81.52 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.66 154.09 45.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.328 2.019 . . . . 0.0 111.929 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.82 121.27 21.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -73.27 119.35 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.338 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 C-N-CA 122.554 2.17 . . . . 0.0 111.716 176.147 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.872 0.368 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.3 p -82.58 155.51 68.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.723 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -54.88 -32.75 79.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.536 2.157 . . . . 0.0 112.076 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -36.69 84.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -67.35 -38.37 84.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.87 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -67.07 -43.38 82.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.837 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.22 78.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.093 0.473 . . . . 0.0 110.455 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -61.75 -44.69 96.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.275 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.83 -41.17 97.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.968 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -59.0 -31.55 68.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -75.56 -41.38 54.94 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.095 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.9 mt-10 -63.46 -36.82 85.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.269 0.557 . . . . 0.0 109.858 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 28' ' ' GLU . 42.9 tp -64.34 -44.97 89.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.053 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.92 97.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.566 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.01 92.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.546 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -65.33 -47.99 74.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.075 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 76.3 mm-40 -60.67 -30.78 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.024 0.44 . . . . 0.0 110.517 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.76 -47.46 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.673 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.64 -34.86 76.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.903 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -64.28 -39.9 94.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.98 74.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.83 4.2 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.192 0.52 . . . . 0.0 111.208 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.071 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 N--CA 1.462 -0.364 0 CA-C-O 120.956 0.315 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -94.05 120.1 33.83 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.305 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.86 128.99 63.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.37 145.34 94.24 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.072 1.848 . . . . 0.0 111.638 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.58 113.51 16.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.046 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 82.2 tttt -65.54 117.53 41.85 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.644 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 10.1 Cg_exo . . . . . 0 N--CA 1.457 -0.618 0 C-N-CA 122.528 2.152 . . . . 0.0 111.172 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -83.0 157.46 66.2 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -54.68 -29.23 60.52 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.423 2.082 . . . . 0.0 111.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.63 -35.32 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.511 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -73.45 -30.82 63.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.324 0.583 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.11 -25.42 66.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.004 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.76 93.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.72 98.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.535 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -61.54 -48.23 81.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.535 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -62.42 -32.44 73.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -67.19 -45.46 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.077 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.54 -31.14 63.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.383 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.28 -42.78 96.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.368 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.05 96.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.487 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -42.32 88.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.322 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -62.42 -47.05 85.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.04 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.79 -30.19 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.659 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -49.14 68.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.08 -35.89 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.401 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.82 -39.13 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.802 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.46 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.97 48.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.079 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.514 -178.868 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.462 -0.333 0 CA-C-O 120.729 0.221 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -85.71 126.54 34.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 62.4 tttp -75.46 125.48 88.7 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 13.2 Cg_exo -66.02 152.4 81.43 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.795 1.663 . . . . 0.0 111.549 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -68.14 110.92 4.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.892 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -74.9 120.55 82.14 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.788 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 C--O 1.238 0.477 0 C-N-CA 122.592 2.194 . . . . 0.0 111.36 172.91 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.2 p -83.93 153.38 63.65 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.17 -31.92 67.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.51 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.552 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -70.35 -34.2 72.36 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.956 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.8 mm? -67.1 -40.38 86.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.9 90.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.301 0.572 . . . . 0.0 110.122 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.97 96.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.572 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -60.52 -42.39 96.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.496 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 51.0 mt-10 -61.48 -32.42 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.837 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.33 -39.05 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.279 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.98 -31.66 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 109.781 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.077 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.97 87.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.77 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.48 72.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.082 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -62.3 -46.81 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.048 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.31 -31.67 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.49 -48.63 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 109.891 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.77 -35.09 79.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.483 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.62 -40.83 96.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.74 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.21 -32.97 65.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.0 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 N--CA 1.459 -0.526 0 CA-C-O 120.952 0.313 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -88.49 138.02 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.885 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -79.24 128.34 76.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -71.4 151.79 59.99 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.095 1.863 . . . . 0.0 111.07 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -78.35 131.48 37.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -71.08 124.6 91.28 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.584 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--O 1.237 0.433 0 C-N-CA 122.524 2.149 . . . . 0.0 112.313 176.294 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.089 0.471 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 p -75.97 155.72 84.55 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.185 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.44 -33.94 69.36 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.575 2.183 . . . . 0.0 112.072 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.08 -32.73 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -76.36 -34.71 58.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.888 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -66.74 -38.45 86.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.287 174.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.24 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.535 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -62.42 -46.23 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.0 -32.12 71.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.99 -41.68 90.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.343 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.44 -29.07 46.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.31 -39.18 93.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.771 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.39 93.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.525 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.343 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.6 -48.8 75.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.866 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.24 -29.26 70.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.13 -50.58 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.169 0.509 . . . . 0.0 110.184 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.55 -31.01 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.34 -39.47 93.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.464 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.89 75.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.144 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -14.87 56.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.8 t80 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 110.337 179.743 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.461 -0.394 0 CA-C-O 120.815 0.256 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 37.1 ttmt -78.08 138.2 60.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.7 Cg_exo -73.38 159.55 46.45 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.346 2.031 . . . . 0.0 111.838 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -80.7 122.42 27.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.301 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.05 113.74 51.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.507 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo . . . . . 0 C--O 1.235 0.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.007 178.603 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -83.35 153.53 65.71 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.87 -28.05 56.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.568 2.179 . . . . 0.0 111.782 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.47 -36.82 85.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.41 -28.0 56.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.997 0.427 . . . . 0.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 17' ' ' LEU . 4.2 mm? -65.97 -35.68 81.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.171 173.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.18 84.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.136 0.493 . . . . 0.0 110.256 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -63.26 -45.68 90.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.304 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.85 -45.55 94.08 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.951 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.93 -31.55 72.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.821 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.47 -43.71 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 109.947 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 44.3 mt-10 -66.05 -37.95 87.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.79 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.53 -39.89 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.248 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.77 97.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.766 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.89 91.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.037 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.95 -48.1 80.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.044 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.98 -33.69 74.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.655 0.264 . . . . 0.0 110.681 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -67.38 -48.64 66.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.196 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.63 -34.16 77.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 109.98 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.41 -38.45 91.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.27 -27.17 68.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.034 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 -5.12 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.162 0.506 . . . . 0.0 110.352 178.894 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.456 -0.681 0 CA-C-O 121.042 0.351 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -89.05 122.5 32.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.497 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 39.5 ttpt -86.05 130.62 49.51 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 1.8 Cg_endo -78.65 154.75 27.23 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.079 1.853 . . . . 0.0 111.482 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -72.39 131.13 42.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.54 112.71 18.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo . . . . . 0 C--O 1.233 0.238 0 C-N-CA 122.754 2.302 . . . . 0.0 112.34 -179.261 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 120.928 0.394 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -91.26 156.39 43.73 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.375 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.43 -31.85 87.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.303 2.002 . . . . 0.0 111.843 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -65.79 -33.32 75.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.205 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.044 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.0 mm? -65.34 -37.74 87.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.249 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.36 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.519 . . . . 0.0 110.334 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.44 96.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.503 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -62.02 -44.14 97.34 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.791 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 47.4 mt-10 -61.46 -28.94 69.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.704 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -75.91 -40.76 53.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.056 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.33 -37.29 85.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.433 0.635 . . . . 0.0 109.735 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.94 -39.16 93.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.967 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.12 92.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.07 88.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.248 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -64.93 -51.5 61.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.4 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.2 -23.91 67.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -65.02 -52.76 54.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.801 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.69 -41.11 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.727 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.98 81.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.071 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.91 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.535 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 N--CA 1.457 -0.635 0 CA-C-O 120.841 0.267 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -93.0 139.91 30.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 23.7 ttpp -89.57 129.28 47.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.495 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 12.2 Cg_endo -58.61 155.99 34.18 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.701 1.601 . . . . 0.0 110.952 171.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -88.58 135.01 33.71 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.959 0.409 . . . . 0.0 111.314 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.43 116.33 52.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.727 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo . . . . . 0 N--CA 1.464 -0.253 0 C-N-CA 122.495 2.13 . . . . 0.0 111.705 175.606 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -90.24 157.05 45.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.565 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.0 -32.82 70.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.474 2.116 . . . . 0.0 111.939 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.87 -37.21 85.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.536 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -73.86 -36.55 64.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.792 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -67.73 -38.07 83.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.687 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.78 91.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.31 92.04 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.432 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.495 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 68.5 t80 -63.94 -49.12 73.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.88 177.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.29 -32.99 73.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.103 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.81 -45.06 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 110.327 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.35 -30.65 62.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.526 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 48.2 tp -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.84 176.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.01 95.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.699 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.44 88.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -63.87 -47.72 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.906 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 55.6 mt-10 -62.37 -27.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -63.16 -50.48 70.22 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.6 -31.79 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.453 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.2 -44.58 87.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.92 86.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.956 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.1 t80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.557 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo . . . . . 0 N--CA 1.46 -0.478 0 N-CA-C 111.498 -0.232 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -88.4 119.65 29.03 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.959 0.409 . . . . 0.0 110.526 -175.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.65 129.1 66.86 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.392 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -61.18 139.5 84.0 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.814 1.676 . . . . 0.0 110.797 172.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.57 130.41 35.04 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.219 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -71.93 115.93 43.26 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.037 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo . . . . . 0 C--N 1.342 0.229 0 C-N-CA 122.734 2.289 . . . . 0.0 112.016 178.89 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 120.738 0.304 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -76.73 157.27 82.21 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.703 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.53 -32.37 53.08 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.707 2.271 . . . . 0.0 112.178 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.0 -34.29 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.539 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -72.38 -34.3 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -66.3 -36.95 84.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.499 173.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.39 86.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.19 0.519 . . . . 0.0 110.081 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.16 83.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.654 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -60.07 -43.28 95.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.457 175.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.93 -33.76 76.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -70.9 -45.08 64.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.322 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.91 -29.04 66.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.261 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.64 -40.22 96.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.155 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.43 94.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 -38.25 76.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.522 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.76 -48.14 70.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.303 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -62.33 -21.54 65.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.689 0.281 . . . . 0.0 111.133 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -62.53 -53.3 56.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.403 0.62 . . . . 0.0 109.495 173.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.97 -32.71 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.818 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.58 -39.28 93.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.621 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.57 85.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.191 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.24 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.046 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.394 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.461 -0.407 0 CA-C-O 120.728 0.22 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.33 145.46 24.95 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -69.48 135.71 88.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.48 158.57 12.52 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 122.741 2.294 . . . . 0.0 113.465 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -55.47 124.6 17.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.992 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -85.42 115.59 62.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.201 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 C--O 1.236 0.383 0 C-N-CA 122.754 2.303 . . . . 0.0 112.148 177.256 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -75.9 157.3 83.81 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.73 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.11 -30.38 60.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.255 1.97 . . . . 0.0 111.886 173.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.657 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.28 -33.1 67.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.9 mm? -65.6 -36.72 84.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.52 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.76 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.988 0.423 . . . . 0.0 110.254 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.51 98.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.598 175.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.38 -44.13 97.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.717 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 49.9 mt-10 -59.81 -33.82 72.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.392 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.13 -45.92 72.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.147 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.85 -33.15 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.177 0.513 . . . . 0.0 110.338 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.27 -38.59 91.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.204 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.53 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.52 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.078 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.36 -50.01 69.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.925 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.38 -30.09 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -50.74 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 176.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.79 -34.13 77.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.254 0.55 . . . . 0.0 110.121 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.86 -35.69 81.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.498 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.62 69.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.323 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.84 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.9 t80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -179.117 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.459 -0.5 0 CA-C-O 121.017 0.34 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -79.7 126.49 31.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -86.88 119.08 70.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.76 151.06 40.31 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.269 1.979 . . . . 0.0 111.987 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.18 128.69 34.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.689 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -69.44 115.67 34.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.56 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo . . . . . 0 C--N 1.345 0.383 0 C-N-CA 123.181 2.587 . . . . 0.0 113.172 -176.654 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB1' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.152 0.501 . . . . 0.0 111.663 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 p -84.45 154.3 62.47 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.247 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.4 -32.42 62.12 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.618 2.212 . . . . 0.0 112.491 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.1 -40.52 96.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.473 . . . . 0.0 110.552 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.14 -35.47 66.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.7 mm? -66.04 -38.58 88.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 174.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.19 96.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.48 81.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.435 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.74 -47.32 85.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.094 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.34 -33.09 73.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -70.48 -42.86 70.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.36 -33.07 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -65.08 -45.93 83.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.286 177.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.15 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.474 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.46 72.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.566 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.68 -49.09 76.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.74 -34.15 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 110.434 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -65.25 -53.68 40.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.96 -32.13 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.092 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.07 -39.02 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.618 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 -28.17 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.476 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.33 -20.2 30.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.3 t80 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.548 -178.58 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.461 -0.395 0 CA-C-O 120.833 0.264 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -100.1 138.67 36.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.0 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -84.5 119.34 72.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.47 152.92 80.44 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.131 1.887 . . . . 0.0 111.654 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -85.58 125.74 33.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.641 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.57 119.89 78.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.913 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.236 0.41 0 C-N-CA 122.688 2.259 . . . . 0.0 112.292 176.699 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.4 p -102.17 147.31 33.76 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.37 -33.38 66.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.418 2.079 . . . . 0.0 111.962 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.67 -36.67 85.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.362 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -78.06 -33.78 50.73 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.6 mm? -65.39 -34.68 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.161 174.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.23 90.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.035 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.57 89.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.506 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.84 -46.98 87.1 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.58 -25.72 68.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.696 0.284 . . . . 0.0 111.103 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -70.39 -47.03 62.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.13 -37.13 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.354 0.597 . . . . 0.0 109.687 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.97 -40.2 95.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.501 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.41 90.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -40.67 69.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.374 177.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -63.93 -48.22 77.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.38 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -59.81 -32.82 71.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.255 0.55 . . . . 0.0 110.078 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.06 -54.59 20.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.184 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.11 -31.6 72.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.168 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.86 -41.54 97.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.69 -35.81 80.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.716 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.65 -28.84 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.296 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.069 0.461 . . . . 0.0 110.556 -178.309 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 N--CA 1.458 -0.563 0 CA-C-O 120.906 0.294 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -98.09 133.64 42.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HD2' ' HD2' ' A' ' 5' ' ' PRO . 24.4 tptm -67.12 118.91 60.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD2' ' HD2' ' A' ' 4' ' ' LYS . 11.3 Cg_endo -55.95 145.78 72.11 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.502 2.135 . . . . 0.0 112.441 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.88 121.92 17.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.929 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -82.04 115.5 57.82 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.461 -0.413 0 C-N-CA 122.425 2.083 . . . . 0.0 111.281 176.813 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -80.76 153.18 72.89 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.822 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.36 -27.87 41.1 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.696 2.264 . . . . 0.0 112.201 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.94 -32.6 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -78.41 -32.34 48.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.9 mm? -67.32 -35.69 79.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.455 173.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.37 90.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.302 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.6 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.485 174.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -61.94 -43.74 98.22 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.549 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.06 -34.82 75.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -71.42 -40.82 70.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.916 0.389 . . . . 0.0 109.968 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.13 -34.41 77.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.19 -41.85 99.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.168 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.91 96.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.41 73.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.343 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.51 -50.24 68.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.355 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.42 -27.08 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 110.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -64.91 -53.03 52.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.9 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.59 -35.16 80.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.356 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.21 -43.47 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.1 69.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.02 -23.44 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 110.572 -179.198 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 N--CA 1.462 -0.348 0 CA-C-O 121.209 0.421 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.85 142.28 46.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.444 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -85.36 128.63 58.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.19 156.95 56.42 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.243 1.962 . . . . 0.0 111.866 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.73 127.42 33.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.909 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -82.53 116.75 65.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.889 0.376 . . . . 0.0 110.725 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 72.0 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 C-N-CA 123.001 2.467 . . . . 0.0 111.74 174.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.502 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 120.798 0.332 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 p -100.56 155.41 36.39 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.746 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -55.88 -31.92 83.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.05 -31.73 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.857 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.93 -35.91 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -64.95 -35.89 82.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.479 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.7 94.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.078 0.466 . . . . 0.0 110.38 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.07 97.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.576 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.16 -43.85 98.24 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 50.2 mt-10 -61.74 -34.78 76.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.704 0.288 . . . . 0.0 110.633 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 2.8 tmmm? -70.78 -43.84 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -64.41 -38.68 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 0.0 110.044 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.67 -44.15 91.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.29 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -39.57 90.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.644 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.87 82.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.181 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.26 -49.99 69.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.331 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.68 -32.18 72.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.22 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.05 -48.88 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.22 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.93 -33.87 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.87 -40.33 97.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.925 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -32.52 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.199 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.04 -14.01 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.6 t80 . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 110.217 -178.821 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo . . . . . 0 N--CA 1.461 -0.424 0 CA-C-O 120.905 0.294 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.56 127.04 35.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.054 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 38.7 ttpt -83.95 132.47 48.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.853 -179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.2 Cg_exo -74.01 161.24 41.55 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.019 1.813 . . . . 0.0 111.771 -178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.73 125.23 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -83.13 122.54 77.62 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.088 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.236 0.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.268 172.703 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.6 p -85.3 156.02 59.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -55.3 -25.12 45.66 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.608 2.205 . . . . 0.0 111.884 175.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.83 -34.29 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.416 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -79.84 -32.17 40.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.793 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.78 -31.06 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.454 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.51 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.782 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.2 82.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.327 176.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.86 -47.22 86.02 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.65 -28.47 69.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.042 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -68.76 -47.26 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.089 0.471 . . . . 0.0 110.155 174.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -71.46 -30.23 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.033 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.35 -40.0 94.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.51 90.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.63 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.438 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -65.04 -46.69 80.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.816 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.82 -30.96 70.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.27 -48.38 73.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -66.74 -36.81 83.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.581 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.87 -41.34 97.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.601 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.48 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.247 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.06 -27.19 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.3 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.508 0.671 . . . . 0.0 110.421 -179.474 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.522 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -45.1 118.2 1.91 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.907 2.405 . . . . 0.0 112.22 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.522 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 55.2 Cg_endo -79.89 143.9 16.73 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.348 2.032 . . . . 0.0 111.658 178.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -88.87 130.27 35.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -175.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -83.43 122.97 77.23 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.2 151.38 73.72 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.001 1.801 . . . . 0.0 111.836 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.89 126.89 30.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.553 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -83.06 115.72 60.42 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.928 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -69.29 133.81 27.37 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.272 1.981 . . . . 0.0 110.908 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.11 -145.84 7.05 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.686 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.09 -17.07 53.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.229 0.538 . . . . 0.0 110.606 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -87.58 25.23 1.5 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.33 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.51 156.98 46.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.972 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -78.39 150.95 77.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.923 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.18 -31.26 65.02 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.28 -29.92 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.744 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -80.66 -32.91 35.97 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -65.8 -36.75 84.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.237 174.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.78 87.27 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.258 0.551 . . . . 0.0 110.43 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.6 99.81 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.588 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.0 -45.97 89.89 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.005 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -32.43 72.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.888 0.375 . . . . 0.0 110.711 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.27 -40.92 64.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.319 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.33 -33.4 71.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.109 0.481 . . . . 0.0 110.116 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.973 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.95 -35.93 78.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.953 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.25 -42.32 65.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.224 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.77 -47.23 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -30.39 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.83 -52.88 46.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.02 -32.22 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.566 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.284 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.85 74.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.899 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.76 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -65.51 -34.17 77.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.795 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.254 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.583 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.28 109.09 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.702 2.268 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.583 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 19.1 Cg_endo -82.53 147.9 14.15 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.463 2.108 . . . . 0.0 112.411 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -94.83 133.83 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.332 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 63.8 tttp -90.09 130.14 43.38 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 5.2 Cg_exo -75.67 161.25 37.04 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 121.922 1.748 . . . . 0.0 111.885 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -76.68 125.78 29.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -78.66 115.02 48.53 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.766 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -64.5 103.9 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 111.766 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.33 -38.05 13.56 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.996 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -146.73 178.46 8.29 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.42 25.27 15.24 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.576 0.227 . . . . 0.0 111.542 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.0 148.14 26.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.964 0.412 . . . . 0.0 111.272 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.2 p -84.78 160.52 55.63 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.9 -30.76 59.76 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.45 2.1 . . . . 0.0 111.884 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.769 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.67 -33.33 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.2 mm? -66.7 -35.4 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.338 174.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.68 93.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.41 98.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -62.95 -44.73 95.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.12 -31.6 71.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.955 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.81 -42.48 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.967 0.413 . . . . 0.0 109.964 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.24 -35.36 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.118 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.36 -40.07 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.992 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.39 88.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.442 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.96 78.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.261 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -63.35 -49.45 73.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.217 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.72 -29.1 70.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.98 -49.9 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.946 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.63 -33.31 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.34 -37.81 88.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.14 75.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.773 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -1.41 56.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.398 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -97.23 120.84 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -50.17 122.47 9.33 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 111.759 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.55 141.0 44.88 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.274 1.983 . . . . 0.0 112.374 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -101.38 136.69 40.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.511 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -76.76 129.02 80.32 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.09 155.92 67.22 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.132 1.888 . . . . 0.0 111.519 173.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 58.8 mttp -79.58 132.66 36.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -85.62 111.55 38.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.39 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 16.2 Cg_exo -67.1 108.2 1.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.746 2.297 . . . . 0.0 111.74 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.33 -45.67 1.06 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.686 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -96.17 130.94 43.1 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.006 -0.114 . . . . 0.0 110.827 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 56.2 49.13 15.97 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.471 0.482 . . . . 0.0 111.105 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.11 141.22 52.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.344 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.6 p -93.31 149.11 36.82 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -54.49 -28.58 55.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.424 2.082 . . . . 0.0 111.848 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.46 -36.31 83.34 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -75.0 -38.13 61.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 109.866 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.8 mm? -67.14 -35.91 80.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.937 176.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.42 82.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 0.0 110.26 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.82 89.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.401 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.46 -46.17 89.72 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.747 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.78 -31.75 71.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.647 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -67.2 -44.95 78.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.05 0.452 . . . . 0.0 109.785 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.338 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 tp -63.77 -40.14 95.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.775 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.16 94.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.37 76.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.463 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.11 -51.16 65.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.4 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -63.47 -33.7 76.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.721 0.296 . . . . 0.0 110.357 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.79 -49.66 69.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.261 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.36 -37.37 86.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.156 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.95 -44.87 88.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.93 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.1 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 -25.08 42.44 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.152 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -78.07 -47.83 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.052 0.453 . . . . 0.0 110.46 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.18 122.72 10.53 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.927 2.418 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -69.0 147.81 68.61 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.343 2.028 . . . . 0.0 112.34 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.17 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.49 126.69 68.42 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 18.7 Cg_endo -60.9 153.45 63.26 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.18 1.92 . . . . 0.0 111.834 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -78.14 116.19 18.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -66.6 117.94 49.31 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -63.87 121.62 9.39 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.681 2.254 . . . . 0.0 112.076 176.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.61 -44.37 0.13 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.769 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.07 114.31 24.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.209 . . . . 0.0 110.443 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 54.91 72.91 0.44 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.166 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.62 141.24 27.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -83.67 155.1 65.45 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.028 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -54.19 -33.12 73.55 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.376 2.051 . . . . 0.0 112.05 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.98 -29.68 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.916 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -71.13 -31.95 68.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.7 mm? -67.76 -36.25 80.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.571 173.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.29 80.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.326 0.584 . . . . 0.0 110.229 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.74 96.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.409 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 64.5 t80 -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.836 177.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.24 -27.07 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.744 0.307 . . . . 0.0 110.967 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -67.15 -45.38 77.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.959 0.409 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.06 -28.23 57.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.399 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 49.2 tp -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.888 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.51 76.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.774 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.99 72.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.237 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.8 -46.5 78.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.178 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 53.6 mt-10 -60.77 -32.15 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.16 -47.48 76.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.023 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -66.88 -34.96 78.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.601 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.01 -45.98 89.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.96 69.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.27 -30.71 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -74.03 -54.45 7.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.525 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.138 -0.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.269 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.92 122.96 12.32 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 123.027 2.485 . . . . 0.0 111.513 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -68.99 144.09 56.91 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.23 1.953 . . . . 0.0 112.083 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -82.12 122.88 28.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -90.67 121.36 68.33 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.064 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.18 152.95 62.35 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.176 1.917 . . . . 0.0 111.485 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.39 121.65 16.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.67 111.1 8.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.94 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -90.43 164.46 4.42 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.084 2.523 . . . . 0.0 112.486 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.03 -113.78 0.88 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -81.49 -9.36 59.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.224 0.535 . . . . 0.0 109.861 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -78.42 -6.5 55.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.021 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.83 173.17 11.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -78.22 153.65 79.57 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.406 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.9 -28.35 77.04 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.284 1.989 . . . . 0.0 111.488 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.78 -36.19 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.354 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -68.16 -33.54 74.64 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.74 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.1 mm? -64.53 -42.58 95.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.323 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.8 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 0.0 110.315 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.67 98.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.519 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -62.33 -46.93 86.49 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.745 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.28 -30.26 70.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.73 -46.35 46.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.379 . . . . 0.0 110.269 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.05 -31.8 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.245 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 30.9 tp -65.77 -41.34 92.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.184 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.85 97.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.401 178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.34 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.516 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.04 -49.34 70.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.915 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 50.7 mt-10 -61.68 -28.79 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 110.542 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.96 -50.32 69.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.937 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.99 -34.41 77.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.39 -42.25 96.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.604 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.77 83.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.897 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.95 -25.8 61.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.09 -41.85 76.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.443 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.11 -0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.79 123.08 12.54 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 123.053 2.502 . . . . 0.0 111.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.96 150.57 34.33 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.402 2.068 . . . . 0.0 112.057 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.17 132.85 39.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.489 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -92.85 127.62 47.0 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -69.7 159.34 53.82 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.33 2.02 . . . . 0.0 111.641 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.49 116.67 12.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.922 0.391 . . . . 0.0 110.591 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -71.43 128.11 90.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.619 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.5 145.92 92.51 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.398 2.065 . . . . 0.0 111.403 172.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.01 -128.88 5.25 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.479 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.87 -24.33 28.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 0.0 110.82 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -91.73 64.41 4.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.351 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.35 143.14 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.594 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -77.48 156.23 81.1 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.846 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.44 -35.37 65.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.658 2.239 . . . . 0.0 112.565 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.65 -33.25 75.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 110.765 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -69.98 -38.4 76.04 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.6 mm? -65.7 -35.99 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.75 84.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.477 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.08 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.503 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -65.2 -45.33 85.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 42.9 mt-10 -61.84 -27.36 68.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.088 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.174 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.09 -32.82 30.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.436 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.21 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.78 75.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.274 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CE1' HD22 ' A' ' 31' ' ' LEU . 66.7 t80 -62.64 -49.42 75.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.874 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -65.04 -53.37 46.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.868 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -67.29 -34.6 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.453 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD22 ' CE1' ' A' ' 27' ' ' TYR . 23.6 tp -63.92 -41.44 97.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.598 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.49 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.296 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.53 -26.05 41.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.467 . . . . 0.0 110.69 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -84.03 -33.85 24.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.592 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.282 -0.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.431 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.174 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.53 116.51 3.03 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.827 2.351 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.431 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 42.6 Cg_endo -78.95 144.86 19.27 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.247 1.965 . . . . 0.0 111.891 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 3.8 ttmp? -89.33 130.95 35.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 -177.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -76.41 120.4 81.52 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.66 154.09 45.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.328 2.019 . . . . 0.0 111.929 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.82 121.27 21.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -73.27 119.35 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.338 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -83.25 162.6 15.23 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.554 2.17 . . . . 0.0 111.716 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.3 -36.51 0.12 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.96 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -73.41 100.76 3.3 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 65.51 29.87 10.96 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.167 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.39 151.85 24.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.872 0.368 . . . . 0.0 110.982 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.3 p -82.58 155.51 68.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.723 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -54.88 -32.75 79.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.536 2.157 . . . . 0.0 112.076 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -36.69 84.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -67.35 -38.37 84.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.87 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -67.07 -43.38 82.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.837 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.22 78.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.093 0.473 . . . . 0.0 110.455 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -61.75 -44.69 96.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.275 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.83 -41.17 97.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.968 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -59.0 -31.55 68.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -75.56 -41.38 54.94 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.095 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.9 mt-10 -63.46 -36.82 85.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.269 0.557 . . . . 0.0 109.858 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 28' ' ' GLU . 42.9 tp -64.34 -44.97 89.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.053 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.92 97.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.566 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.01 92.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.546 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -65.33 -47.99 74.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.075 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 76.3 mm-40 -60.67 -30.78 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.024 0.44 . . . . 0.0 110.517 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.76 -47.46 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.673 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.64 -34.86 76.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.903 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -64.28 -39.9 94.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.98 74.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.83 4.2 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.192 0.52 . . . . 0.0 111.208 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -110.53 136.59 49.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.584 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.38 118.21 5.13 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 123.635 2.89 . . . . 0.0 112.738 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -61.42 146.54 97.04 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.473 2.115 . . . . 0.0 111.875 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -94.05 120.1 33.83 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.305 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.86 128.99 63.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.37 145.34 94.24 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.072 1.848 . . . . 0.0 111.638 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.58 113.51 16.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.046 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 82.2 tttt -65.54 117.53 41.85 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.644 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 10.1 Cg_exo -70.7 109.56 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.528 2.152 . . . . 0.0 111.172 173.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.62 -48.08 0.31 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.672 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -83.98 118.89 24.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 58.82 74.79 0.42 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.268 0.556 . . . . 0.0 110.09 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.41 134.82 4.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.754 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -83.0 157.46 66.2 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -54.68 -29.23 60.52 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.423 2.082 . . . . 0.0 111.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.63 -35.32 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.511 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -73.45 -30.82 63.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.324 0.583 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.11 -25.42 66.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.004 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.76 93.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.72 98.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.535 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -61.54 -48.23 81.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.535 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -62.42 -32.44 73.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -67.19 -45.46 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.077 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.54 -31.14 63.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.383 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.28 -42.78 96.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.368 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.05 96.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.487 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -42.32 88.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.322 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -62.42 -47.05 85.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.04 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.79 -30.19 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.659 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -49.14 68.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.08 -35.89 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.401 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.82 -39.13 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.802 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.46 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.97 48.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.079 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -84.01 91.06 7.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.514 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.281 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -55.87 122.42 11.72 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.655 2.237 . . . . 0.0 111.722 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -74.62 136.89 21.89 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.3 2.0 . . . . 0.0 111.857 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -85.71 126.54 34.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 62.4 tttp -75.46 125.48 88.7 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 13.2 Cg_exo -66.02 152.4 81.43 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.795 1.663 . . . . 0.0 111.549 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -68.14 110.92 4.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.892 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -74.9 120.55 82.14 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.788 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.57 149.98 79.82 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.592 2.194 . . . . 0.0 111.36 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.55 -97.83 0.58 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.302 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -82.14 -37.03 26.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.924 0.392 . . . . 0.0 111.831 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -108.85 70.44 0.74 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.128 0.49 . . . . 0.0 110.666 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.91 151.74 16.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.534 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.2 p -83.93 153.38 63.65 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.17 -31.92 67.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.51 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.552 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -70.35 -34.2 72.36 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.956 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.8 mm? -67.1 -40.38 86.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.9 90.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.301 0.572 . . . . 0.0 110.122 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.97 96.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.572 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -60.52 -42.39 96.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.496 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 51.0 mt-10 -61.48 -32.42 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.837 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.33 -39.05 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.279 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.98 -31.66 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 109.781 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.077 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.97 87.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.77 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.48 72.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.082 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -62.3 -46.81 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.048 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.31 -31.67 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.49 -48.63 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 109.891 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.77 -35.09 79.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.483 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.62 -40.83 96.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.74 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.21 -32.97 65.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -70.04 -44.3 69.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.196 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.599 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -57.31 113.75 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.969 2.446 . . . . 0.0 111.765 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.599 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 56.7 Cg_endo -83.2 143.7 11.42 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.479 2.119 . . . . 0.0 112.151 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -88.49 138.02 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.885 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -79.24 128.34 76.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -71.4 151.79 59.99 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.095 1.863 . . . . 0.0 111.07 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -78.35 131.48 37.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -71.08 124.6 91.28 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.584 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.5 156.91 10.33 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.524 2.149 . . . . 0.0 112.313 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.66 -173.75 40.78 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.632 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.78 -9.15 59.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.137 0.494 . . . . 0.0 110.802 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -96.39 12.46 31.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.02 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.76 151.59 21.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.089 0.471 . . . . 0.0 111.2 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 p -75.97 155.72 84.55 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.185 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.44 -33.94 69.36 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.575 2.183 . . . . 0.0 112.072 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.08 -32.73 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -76.36 -34.71 58.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.888 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -66.74 -38.45 86.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.287 174.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.24 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.535 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -62.42 -46.23 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.0 -32.12 71.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.99 -41.68 90.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.343 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.44 -29.07 46.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.31 -39.18 93.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.771 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.39 93.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.525 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.343 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.6 -48.8 75.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.866 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.24 -29.26 70.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.13 -50.58 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.169 0.509 . . . . 0.0 110.184 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.55 -31.01 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.34 -39.47 93.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.464 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.89 75.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.144 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -14.87 56.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -91.05 -33.86 15.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 110.337 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.218 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.655 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.46 115.66 2.35 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 123.14 2.56 . . . . 0.0 112.22 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.655 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 73.3 Cg_endo -85.57 153.48 10.38 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.901 2.401 . . . . 0.0 112.34 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 37.1 ttmt -78.08 138.2 60.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.7 Cg_exo -73.38 159.55 46.45 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.346 2.031 . . . . 0.0 111.838 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -80.7 122.42 27.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.301 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.05 113.74 51.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.507 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.61 143.45 98.41 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.007 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.29 -148.39 23.85 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.664 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.18 -31.82 70.7 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 111.719 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -85.71 25.61 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.572 -174.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.72 153.0 41.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.723 0.297 . . . . 0.0 110.668 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -83.35 153.53 65.71 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.87 -28.05 56.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.568 2.179 . . . . 0.0 111.782 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.47 -36.82 85.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.41 -28.0 56.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.997 0.427 . . . . 0.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 17' ' ' LEU . 4.2 mm? -65.97 -35.68 81.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.171 173.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.18 84.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.136 0.493 . . . . 0.0 110.256 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -63.26 -45.68 90.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.304 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.85 -45.55 94.08 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.951 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.93 -31.55 72.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.821 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.47 -43.71 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 109.947 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 44.3 mt-10 -66.05 -37.95 87.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.79 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.53 -39.89 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.248 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.77 97.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.766 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.89 91.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.037 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.95 -48.1 80.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.044 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.98 -33.69 74.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.655 0.264 . . . . 0.0 110.681 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -67.38 -48.64 66.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.196 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.63 -34.16 77.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 109.98 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.41 -38.45 91.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.27 -27.17 68.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.034 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 -5.12 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -101.21 -30.14 11.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.162 0.506 . . . . 0.0 110.352 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.192 -0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 7.6 Cg_endo -50.87 121.27 7.84 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.12 2.547 . . . . 0.0 112.028 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 2.1 Cg_endo -73.29 142.82 34.29 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.19 1.926 . . . . 0.0 111.749 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -89.05 122.5 32.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.497 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 39.5 ttpt -86.05 130.62 49.51 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 1.8 Cg_endo -78.65 154.75 27.23 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.079 1.853 . . . . 0.0 111.482 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -72.39 131.13 42.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.54 112.71 18.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -62.51 118.37 5.26 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.754 2.302 . . . . 0.0 112.34 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.43 -46.82 0.1 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.804 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -89.59 106.51 18.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.2 t30 65.84 79.31 0.25 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.816 0.698 . . . . 0.0 110.637 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.14 144.06 21.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -91.26 156.39 43.73 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.375 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.43 -31.85 87.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.303 2.002 . . . . 0.0 111.843 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -65.79 -33.32 75.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.205 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.044 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.0 mm? -65.34 -37.74 87.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.249 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.36 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.519 . . . . 0.0 110.334 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.44 96.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.503 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -62.02 -44.14 97.34 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.791 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 47.4 mt-10 -61.46 -28.94 69.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.704 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -75.91 -40.76 53.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.056 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.33 -37.29 85.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.433 0.635 . . . . 0.0 109.735 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.94 -39.16 93.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.967 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.12 92.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.07 88.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.248 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -64.93 -51.5 61.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.4 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.2 -23.91 67.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -65.02 -52.76 54.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.801 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.69 -41.11 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.727 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.98 81.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.071 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.91 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -72.01 118.79 15.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.381 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -61.35 116.93 3.72 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.951 2.434 . . . . 0.0 111.85 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -78.69 145.83 20.71 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.198 1.932 . . . . 0.0 111.732 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -93.0 139.91 30.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 23.7 ttpp -89.57 129.28 47.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.495 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 12.2 Cg_endo -58.61 155.99 34.18 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.701 1.601 . . . . 0.0 110.952 171.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -88.58 135.01 33.71 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.959 0.409 . . . . 0.0 111.314 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.43 116.33 52.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.727 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.22 116.73 3.57 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.495 2.13 . . . . 0.0 111.705 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.35 -45.07 0.54 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.821 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -98.31 126.38 43.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.833 0.349 . . . . 0.0 110.797 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.57 70.43 0.55 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.548 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.7 134.51 37.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.561 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -90.24 157.05 45.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.565 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.0 -32.82 70.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.474 2.116 . . . . 0.0 111.939 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.87 -37.21 85.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.536 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -73.86 -36.55 64.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.792 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -67.73 -38.07 83.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.687 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.78 91.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.31 92.04 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.432 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.495 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 68.5 t80 -63.94 -49.12 73.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.88 177.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.29 -32.99 73.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.103 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.81 -45.06 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 110.327 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.35 -30.65 62.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.526 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 48.2 tp -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.84 176.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.01 95.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.699 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.44 88.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -63.87 -47.72 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.906 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 55.6 mt-10 -62.37 -27.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -63.16 -50.48 70.22 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.6 -31.79 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.453 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.2 -44.58 87.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.92 86.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.956 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -66.8 -46.27 75.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.992 -0.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.214 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.27 119.95 7.39 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 123.197 2.598 . . . . 0.0 112.05 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -73.05 148.28 44.56 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.408 2.072 . . . . 0.0 111.498 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -88.4 119.65 29.03 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.959 0.409 . . . . 0.0 110.526 -175.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.65 129.1 66.86 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.392 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -61.18 139.5 84.0 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.814 1.676 . . . . 0.0 110.797 172.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.57 130.41 35.04 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.219 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -71.93 115.93 43.26 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.037 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -54.42 116.07 2.82 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.734 2.289 . . . . 0.0 112.016 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.45 15.84 3.16 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.532 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -106.72 -63.65 1.26 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.862 0.363 . . . . 0.0 110.209 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -163.8 92.59 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.151 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.0 155.8 44.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.698 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -76.73 157.27 82.21 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.703 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.53 -32.37 53.08 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.707 2.271 . . . . 0.0 112.178 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.0 -34.29 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.539 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -72.38 -34.3 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -66.3 -36.95 84.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.499 173.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.39 86.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.19 0.519 . . . . 0.0 110.081 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.16 83.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.654 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -60.07 -43.28 95.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.457 175.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.93 -33.76 76.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -70.9 -45.08 64.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.322 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.91 -29.04 66.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.261 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.64 -40.22 96.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.155 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.43 94.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 -38.25 76.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.522 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.76 -48.14 70.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.303 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -62.33 -21.54 65.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.689 0.281 . . . . 0.0 111.133 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -62.53 -53.3 56.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.403 0.62 . . . . 0.0 109.495 173.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.97 -32.71 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.818 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.58 -39.28 93.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.621 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.57 85.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.191 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.24 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.046 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -75.13 -33.41 61.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.394 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.67 125.56 19.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.976 2.451 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -75.6 148.48 33.08 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.045 1.83 . . . . 0.0 111.78 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.33 145.46 24.95 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -69.48 135.71 88.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.48 158.57 12.52 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 122.741 2.294 . . . . 0.0 113.465 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -55.47 124.6 17.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.992 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -85.42 115.59 62.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.201 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.89 142.28 97.15 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.754 2.303 . . . . 0.0 112.148 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.45 -179.23 44.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.126 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.25 -27.36 68.6 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.925 0.393 . . . . 0.0 111.033 -176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -78.25 -7.84 57.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.403 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.52 144.23 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -75.9 157.3 83.81 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.73 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.11 -30.38 60.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.255 1.97 . . . . 0.0 111.886 173.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.657 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.28 -33.1 67.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.9 mm? -65.6 -36.72 84.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.52 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.76 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.988 0.423 . . . . 0.0 110.254 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.51 98.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.598 175.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.38 -44.13 97.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.717 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 49.9 mt-10 -59.81 -33.82 72.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.392 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.13 -45.92 72.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.147 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.85 -33.15 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.177 0.513 . . . . 0.0 110.338 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.27 -38.59 91.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.204 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.53 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.52 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.078 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.36 -50.01 69.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.925 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.38 -30.09 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -50.74 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 176.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.79 -34.13 77.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.254 0.55 . . . . 0.0 110.121 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.86 -35.69 81.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.498 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.62 69.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.323 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.84 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -85.0 105.86 16.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.292 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.66 109.88 2.19 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.719 2.946 . . . . 0.0 112.842 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.95 134.81 15.0 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.186 1.924 . . . . 0.0 111.924 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -79.7 126.49 31.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -86.88 119.08 70.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.76 151.06 40.31 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.269 1.979 . . . . 0.0 111.987 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.18 128.69 34.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.689 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -69.44 115.67 34.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.56 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.06 121.41 6.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.181 2.587 . . . . 0.0 113.172 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.13 -51.12 0.56 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.472 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -95.95 142.17 28.49 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.0 m120 53.9 39.64 30.66 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.227 0.537 . . . . 0.0 110.363 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB1' HD21 ' A' ' 17' ' ' LEU . . . -88.64 85.46 6.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.663 -174.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 p -84.45 154.3 62.47 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.247 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.4 -32.42 62.12 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.618 2.212 . . . . 0.0 112.491 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.1 -40.52 96.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.473 . . . . 0.0 110.552 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.14 -35.47 66.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.7 mm? -66.04 -38.58 88.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 174.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.19 96.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.48 81.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.435 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.74 -47.32 85.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.094 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.34 -33.09 73.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -70.48 -42.86 70.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.36 -33.07 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -65.08 -45.93 83.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.286 177.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.15 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.474 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.46 72.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.566 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.68 -49.09 76.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.74 -34.15 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 110.434 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -65.25 -53.68 40.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.96 -32.13 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.092 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.07 -39.02 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.618 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 -28.17 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.476 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.33 -20.2 30.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -75.09 118.33 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.548 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.431 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -57.29 119.1 6.14 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 123.107 2.538 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.47 137.9 31.52 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.132 1.888 . . . . 0.0 111.568 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -100.1 138.67 36.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.0 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -84.5 119.34 72.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.47 152.92 80.44 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.131 1.887 . . . . 0.0 111.654 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -85.58 125.74 33.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.641 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.57 119.89 78.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.913 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.38 133.31 51.47 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.688 2.259 . . . . 0.0 112.292 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.23 -45.46 0.15 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.327 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.18 110.79 13.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.593 0.235 . . . . 0.0 110.415 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 m120 58.39 40.19 24.53 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.802 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.87 135.21 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.173 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.4 p -102.17 147.31 33.76 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.37 -33.38 66.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.418 2.079 . . . . 0.0 111.962 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.67 -36.67 85.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.362 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -78.06 -33.78 50.73 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.6 mm? -65.39 -34.68 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.161 174.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.23 90.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.035 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.57 89.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.506 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.84 -46.98 87.1 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.58 -25.72 68.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.696 0.284 . . . . 0.0 111.103 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -70.39 -47.03 62.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.13 -37.13 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.354 0.597 . . . . 0.0 109.687 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.97 -40.2 95.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.501 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.41 90.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -40.67 69.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.374 177.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -63.93 -48.22 77.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.38 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -59.81 -32.82 71.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.255 0.55 . . . . 0.0 110.078 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.06 -54.59 20.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.184 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.11 -31.6 72.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.168 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.86 -41.54 97.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.69 -35.81 80.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.716 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.65 -28.84 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.296 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -80.52 -36.26 33.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.069 0.461 . . . . 0.0 110.556 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.315 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.476 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -60.81 117.9 4.71 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 123.17 2.58 . . . . 0.0 112.4 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.476 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 43.2 Cg_endo -77.46 144.1 22.44 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.223 1.949 . . . . 0.0 111.604 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -98.09 133.64 42.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HD2' ' HD2' ' A' ' 5' ' ' PRO . 24.4 tptm -67.12 118.91 60.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD2' ' HD2' ' A' ' 4' ' ' LYS . 11.3 Cg_endo -55.95 145.78 72.11 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.502 2.135 . . . . 0.0 112.441 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.88 121.92 17.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.929 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -82.04 115.5 57.82 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -60.23 140.47 92.3 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.425 2.083 . . . . 0.0 111.281 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.38 -177.8 41.5 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.896 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -74.67 -2.42 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.271 0.558 . . . . 0.0 110.423 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -75.05 -14.82 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.994 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.18 164.63 12.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.485 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -80.76 153.18 72.89 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.822 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.36 -27.87 41.1 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.696 2.264 . . . . 0.0 112.201 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.94 -32.6 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -78.41 -32.34 48.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 17' ' ' LEU . 3.9 mm? -67.32 -35.69 79.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.455 173.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.37 90.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.302 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.6 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.485 174.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -61.94 -43.74 98.22 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.549 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.06 -34.82 75.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -71.42 -40.82 70.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.916 0.389 . . . . 0.0 109.968 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.13 -34.41 77.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.19 -41.85 99.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.168 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.91 96.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.41 73.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.343 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.51 -50.24 68.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.355 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.42 -27.08 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 110.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -64.91 -53.03 52.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.9 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.59 -35.16 80.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.356 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.21 -43.47 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.1 69.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.02 -23.44 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -80.49 -32.7 36.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 110.572 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.071 -0.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.97 121.78 10.58 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.063 2.509 . . . . 0.0 112.028 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.37 144.03 32.15 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.3 2.0 . . . . 0.0 112.526 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.85 142.28 46.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.444 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -85.36 128.63 58.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.19 156.95 56.42 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.243 1.962 . . . . 0.0 111.866 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.73 127.42 33.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.909 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -82.53 116.75 65.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.889 0.376 . . . . 0.0 110.725 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 72.0 Cg_endo -88.56 160.14 6.53 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.001 2.467 . . . . 0.0 111.74 174.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.99 -69.46 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.7 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -64.91 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.175 0.512 . . . . 0.0 111.179 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -91.24 41.64 1.07 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.026 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.502 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . -138.83 169.06 18.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.041 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 p -100.56 155.41 36.39 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.746 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -55.88 -31.92 83.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.05 -31.73 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.857 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.93 -35.91 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -64.95 -35.89 82.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.479 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.7 94.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.078 0.466 . . . . 0.0 110.38 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.07 97.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.576 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.16 -43.85 98.24 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 50.2 mt-10 -61.74 -34.78 76.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.704 0.288 . . . . 0.0 110.633 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 2.8 tmmm? -70.78 -43.84 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -64.41 -38.68 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 0.0 110.044 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.67 -44.15 91.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.29 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -39.57 90.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.644 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.87 82.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.181 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.26 -49.99 69.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.331 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.68 -32.18 72.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.22 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.05 -48.88 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.22 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.93 -33.87 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.87 -40.33 97.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.925 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -32.52 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.199 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.04 -14.01 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -90.43 90.51 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 110.217 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 116.172 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.409 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -54.34 115.98 2.75 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.928 2.418 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 35.1 Cg_endo -70.08 142.91 47.73 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.223 1.949 . . . . 0.0 112.215 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.56 127.04 35.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.054 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 38.7 ttpt -83.95 132.47 48.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.853 -179.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.2 Cg_exo -74.01 161.24 41.55 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.019 1.813 . . . . 0.0 111.771 -178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.73 125.23 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -83.13 122.54 77.62 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.088 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.19 144.56 95.24 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.268 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.62 -161.83 28.46 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.088 -175.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -77.4 -15.7 59.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.776 0.322 . . . . 0.0 110.793 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -86.25 8.39 21.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.02 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.27 157.47 19.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.539 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.6 p -85.3 156.02 59.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -55.3 -25.12 45.66 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.608 2.205 . . . . 0.0 111.884 175.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.83 -34.29 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.416 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -79.84 -32.17 40.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.793 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.78 -31.06 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.454 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.51 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.782 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.2 82.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.327 176.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.86 -47.22 86.02 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.65 -28.47 69.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.042 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -68.76 -47.26 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.089 0.471 . . . . 0.0 110.155 174.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -71.46 -30.23 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.033 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.35 -40.0 94.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.51 90.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.63 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.438 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -65.04 -46.69 80.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.816 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.82 -30.96 70.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.27 -48.38 73.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -66.74 -36.81 83.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.581 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.87 -41.34 97.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.601 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.48 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.247 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.06 -27.19 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -88.03 67.79 9.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.508 0.671 . . . . 0.0 110.421 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.99 -0.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 N--CA 1.458 -0.595 0 CA-C-O 120.864 0.277 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -88.87 130.27 35.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -175.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -83.43 122.97 77.23 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.2 151.38 73.72 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.001 1.801 . . . . 0.0 111.836 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.89 126.89 30.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.553 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -83.06 115.72 60.42 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.928 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo . . . . . 0 N--CA 1.459 -0.542 0 C-N-CA 122.272 1.981 . . . . 0.0 110.908 173.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -78.39 150.95 77.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.923 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.18 -31.26 65.02 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.28 -29.92 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.744 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -80.66 -32.91 35.97 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -65.8 -36.75 84.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.237 174.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.78 87.27 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.258 0.551 . . . . 0.0 110.43 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.6 99.81 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.588 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.0 -45.97 89.89 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.005 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -32.43 72.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.888 0.375 . . . . 0.0 110.711 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.27 -40.92 64.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.319 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.33 -33.4 71.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.109 0.481 . . . . 0.0 110.116 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.973 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.95 -35.93 78.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.953 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.25 -42.32 65.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.224 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.77 -47.23 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -30.39 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.83 -52.88 46.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.02 -32.22 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.566 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.284 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.85 74.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.899 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.76 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.6 t80 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.795 178.665 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 N--CA 1.455 -0.771 0 CA-C-O 120.923 0.301 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -94.83 133.83 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.332 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 63.8 tttp -90.09 130.14 43.38 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 5.2 Cg_exo -75.67 161.25 37.04 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 121.922 1.748 . . . . 0.0 111.885 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -76.68 125.78 29.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -78.66 115.02 48.53 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.766 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 N--CA 1.462 -0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 111.766 177.497 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.964 0.412 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.2 p -84.78 160.52 55.63 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.9 -30.76 59.76 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.45 2.1 . . . . 0.0 111.884 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.769 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.67 -33.33 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.2 mm? -66.7 -35.4 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.338 174.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.68 93.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.41 98.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -62.95 -44.73 95.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.12 -31.6 71.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.955 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.81 -42.48 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.967 0.413 . . . . 0.0 109.964 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.24 -35.36 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.118 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.36 -40.07 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.992 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.39 88.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.442 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.96 78.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.261 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -63.35 -49.45 73.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.217 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.72 -29.1 70.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.98 -49.9 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.946 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.63 -33.31 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.34 -37.81 88.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.14 75.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.773 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -1.41 56.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.398 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.9 t80 . . . . . 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 179.336 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.042 0.351 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -101.38 136.69 40.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.511 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -76.76 129.02 80.32 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.09 155.92 67.22 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.132 1.888 . . . . 0.0 111.519 173.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 58.8 mttp -79.58 132.66 36.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -85.62 111.55 38.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.39 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 16.2 Cg_exo . . . . . 0 N--CA 1.464 -0.258 0 C-N-CA 122.746 2.297 . . . . 0.0 111.74 176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 120.999 0.428 . . . . 0.0 111.344 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.6 p -93.31 149.11 36.82 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -54.49 -28.58 55.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.424 2.082 . . . . 0.0 111.848 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.46 -36.31 83.34 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -75.0 -38.13 61.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 109.866 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.8 mm? -67.14 -35.91 80.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.937 176.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.42 82.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 0.0 110.26 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.82 89.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.401 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.46 -46.17 89.72 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.747 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.78 -31.75 71.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.647 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -67.2 -44.95 78.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.05 0.452 . . . . 0.0 109.785 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.338 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 tp -63.77 -40.14 95.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.775 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.16 94.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.37 76.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.463 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.11 -51.16 65.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.4 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -63.47 -33.7 76.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.721 0.296 . . . . 0.0 110.357 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.79 -49.66 69.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.261 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.36 -37.37 86.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.156 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.95 -44.87 88.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.93 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.1 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 -25.08 42.44 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.152 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.052 0.453 . . . . 0.0 110.46 -179.461 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo . . . . . 0 C--O 1.236 0.405 0 CA-C-O 120.962 0.317 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.17 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.49 126.69 68.42 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 18.7 Cg_endo -60.9 153.45 63.26 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.18 1.92 . . . . 0.0 111.834 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -78.14 116.19 18.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -66.6 117.94 49.31 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo . . . . . 0 N--CA 1.461 -0.414 0 C-N-CA 122.681 2.254 . . . . 0.0 112.076 176.156 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.464 0 CA-C-O 121.04 0.448 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -83.67 155.1 65.45 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.028 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -54.19 -33.12 73.55 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.376 2.051 . . . . 0.0 112.05 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.98 -29.68 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.916 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -71.13 -31.95 68.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.7 mm? -67.76 -36.25 80.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.571 173.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.29 80.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.326 0.584 . . . . 0.0 110.229 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.74 96.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.409 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 64.5 t80 -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.836 177.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.24 -27.07 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.744 0.307 . . . . 0.0 110.967 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -67.15 -45.38 77.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.959 0.409 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.06 -28.23 57.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.399 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 49.2 tp -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.888 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.51 76.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.774 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.99 72.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.237 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.8 -46.5 78.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.178 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 53.6 mt-10 -60.77 -32.15 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.16 -47.48 76.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.023 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -66.88 -34.96 78.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.601 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.01 -45.98 89.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.96 69.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.27 -30.71 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 t80 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.525 179.883 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo . . . . . 0 N--CA 1.463 -0.267 0 CA-C-O 121.001 0.334 . . . . 0.0 112.083 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -82.12 122.88 28.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -90.67 121.36 68.33 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.064 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.18 152.95 62.35 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.176 1.917 . . . . 0.0 111.485 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.39 121.65 16.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.67 111.1 8.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.94 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 C-N-CA 123.084 2.523 . . . . 0.0 112.486 179.042 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.527 0 CA-C-O 120.732 0.301 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -78.22 153.65 79.57 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.406 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.9 -28.35 77.04 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.284 1.989 . . . . 0.0 111.488 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.78 -36.19 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.354 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -68.16 -33.54 74.64 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.74 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.1 mm? -64.53 -42.58 95.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.323 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.8 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 0.0 110.315 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.67 98.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.519 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -62.33 -46.93 86.49 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.745 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.28 -30.26 70.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.73 -46.35 46.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.379 . . . . 0.0 110.269 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.05 -31.8 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.245 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 30.9 tp -65.77 -41.34 92.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.184 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.85 97.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.401 178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.34 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.516 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.04 -49.34 70.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.915 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 50.7 mt-10 -61.68 -28.79 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 110.542 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.96 -50.32 69.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.937 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.99 -34.41 77.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.39 -42.25 96.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.604 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.77 83.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.897 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.95 -25.8 61.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.443 178.223 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 N--CA 1.463 -0.323 0 CA-C-O 120.85 0.271 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.17 132.85 39.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.489 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -92.85 127.62 47.0 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -69.7 159.34 53.82 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.33 2.02 . . . . 0.0 111.641 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.49 116.67 12.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.922 0.391 . . . . 0.0 110.591 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -71.43 128.11 90.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.619 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 C--O 1.238 0.49 0 C-N-CA 122.398 2.065 . . . . 0.0 111.403 172.404 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -77.48 156.23 81.1 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.846 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.44 -35.37 65.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.658 2.239 . . . . 0.0 112.565 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.65 -33.25 75.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 110.765 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -69.98 -38.4 76.04 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.6 mm? -65.7 -35.99 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.75 84.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.477 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.08 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.503 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -65.2 -45.33 85.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 42.9 mt-10 -61.84 -27.36 68.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.088 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.174 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.09 -32.82 30.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.436 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.21 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.78 75.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.274 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CE1' HD22 ' A' ' 31' ' ' LEU . 66.7 t80 -62.64 -49.42 75.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.874 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -65.04 -53.37 46.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.868 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -67.29 -34.6 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.453 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD22 ' CE1' ' A' ' 27' ' ' TYR . 23.6 tp -63.92 -41.44 97.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.598 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.49 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.296 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.53 -26.05 41.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.467 . . . . 0.0 110.69 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.2 t80 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.592 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo . . . . . 0 N--CA 1.457 -0.65 0 CA-C-O 120.986 0.328 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 3.8 ttmp? -89.33 130.95 35.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 -177.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -76.41 120.4 81.52 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.66 154.09 45.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.328 2.019 . . . . 0.0 111.929 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.82 121.27 21.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -73.27 119.35 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.338 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 C-N-CA 122.554 2.17 . . . . 0.0 111.716 176.147 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.872 0.368 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.3 p -82.58 155.51 68.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.723 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -54.88 -32.75 79.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.536 2.157 . . . . 0.0 112.076 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -36.69 84.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -67.35 -38.37 84.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.87 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -67.07 -43.38 82.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.837 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.22 78.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.093 0.473 . . . . 0.0 110.455 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -61.75 -44.69 96.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.275 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.83 -41.17 97.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.968 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -59.0 -31.55 68.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -75.56 -41.38 54.94 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.095 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.9 mt-10 -63.46 -36.82 85.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.269 0.557 . . . . 0.0 109.858 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 28' ' ' GLU . 42.9 tp -64.34 -44.97 89.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.053 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.92 97.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.566 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.01 92.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.546 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -65.33 -47.99 74.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.075 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 76.3 mm-40 -60.67 -30.78 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.024 0.44 . . . . 0.0 110.517 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.76 -47.46 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.673 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.64 -34.86 76.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.903 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -64.28 -39.9 94.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.98 74.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.83 4.2 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.192 0.52 . . . . 0.0 111.208 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.071 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 N--CA 1.462 -0.364 0 CA-C-O 120.956 0.315 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -94.05 120.1 33.83 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.305 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.86 128.99 63.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.37 145.34 94.24 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.072 1.848 . . . . 0.0 111.638 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.58 113.51 16.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.046 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 82.2 tttt -65.54 117.53 41.85 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.644 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 10.1 Cg_exo . . . . . 0 N--CA 1.457 -0.618 0 C-N-CA 122.528 2.152 . . . . 0.0 111.172 173.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -83.0 157.46 66.2 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -54.68 -29.23 60.52 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.423 2.082 . . . . 0.0 111.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.63 -35.32 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.511 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -73.45 -30.82 63.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.324 0.583 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.11 -25.42 66.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.004 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.76 93.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.72 98.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.535 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -61.54 -48.23 81.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.535 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -62.42 -32.44 73.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -67.19 -45.46 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.077 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.54 -31.14 63.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.383 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.28 -42.78 96.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.368 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.05 96.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.487 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -42.32 88.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.322 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -62.42 -47.05 85.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.04 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.79 -30.19 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.659 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -49.14 68.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.08 -35.89 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.401 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.82 -39.13 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.802 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.46 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.97 48.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.079 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.514 -178.868 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.462 -0.333 0 CA-C-O 120.729 0.221 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -85.71 126.54 34.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 62.4 tttp -75.46 125.48 88.7 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 13.2 Cg_exo -66.02 152.4 81.43 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.795 1.663 . . . . 0.0 111.549 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -68.14 110.92 4.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.892 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -74.9 120.55 82.14 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.788 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 C--O 1.238 0.477 0 C-N-CA 122.592 2.194 . . . . 0.0 111.36 172.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.2 p -83.93 153.38 63.65 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.17 -31.92 67.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.51 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.552 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -70.35 -34.2 72.36 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.956 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.8 mm? -67.1 -40.38 86.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.9 90.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.301 0.572 . . . . 0.0 110.122 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.97 96.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.572 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -60.52 -42.39 96.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.496 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 51.0 mt-10 -61.48 -32.42 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.837 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.33 -39.05 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.279 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.98 -31.66 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 109.781 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.077 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.97 87.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.77 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.48 72.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.082 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -62.3 -46.81 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.048 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.31 -31.67 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.49 -48.63 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 109.891 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.77 -35.09 79.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.483 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.62 -40.83 96.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.74 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.21 -32.97 65.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.0 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 N--CA 1.459 -0.526 0 CA-C-O 120.952 0.313 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -88.49 138.02 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.885 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -79.24 128.34 76.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -71.4 151.79 59.99 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.095 1.863 . . . . 0.0 111.07 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -78.35 131.48 37.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -71.08 124.6 91.28 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.584 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--O 1.237 0.433 0 C-N-CA 122.524 2.149 . . . . 0.0 112.313 176.294 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.089 0.471 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 p -75.97 155.72 84.55 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.185 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.44 -33.94 69.36 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.575 2.183 . . . . 0.0 112.072 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.08 -32.73 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -76.36 -34.71 58.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.888 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -66.74 -38.45 86.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.287 174.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.24 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.535 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -62.42 -46.23 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.0 -32.12 71.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.99 -41.68 90.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.343 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.44 -29.07 46.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.31 -39.18 93.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.771 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.39 93.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.525 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.343 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.6 -48.8 75.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.866 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.24 -29.26 70.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.13 -50.58 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.169 0.509 . . . . 0.0 110.184 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.55 -31.01 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.34 -39.47 93.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.464 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.89 75.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.144 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -14.87 56.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.8 t80 . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 110.337 179.743 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo . . . . . 0 N--CA 1.461 -0.394 0 CA-C-O 120.815 0.256 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 37.1 ttmt -78.08 138.2 60.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.7 Cg_exo -73.38 159.55 46.45 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.346 2.031 . . . . 0.0 111.838 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -80.7 122.42 27.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.301 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.05 113.74 51.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.507 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo . . . . . 0 C--O 1.235 0.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.007 178.603 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -83.35 153.53 65.71 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.87 -28.05 56.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.568 2.179 . . . . 0.0 111.782 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.47 -36.82 85.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.41 -28.0 56.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.997 0.427 . . . . 0.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.2 mm? -65.97 -35.68 81.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.171 173.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.18 84.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.136 0.493 . . . . 0.0 110.256 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -63.26 -45.68 90.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.304 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.85 -45.55 94.08 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.951 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.93 -31.55 72.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.821 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.47 -43.71 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 109.947 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 44.3 mt-10 -66.05 -37.95 87.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.79 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.53 -39.89 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.248 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.77 97.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.766 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.89 91.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.037 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.95 -48.1 80.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.044 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.98 -33.69 74.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.655 0.264 . . . . 0.0 110.681 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -67.38 -48.64 66.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.196 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.63 -34.16 77.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 109.98 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.41 -38.45 91.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.27 -27.17 68.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.034 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 -5.12 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 . . . . . 0 C--N 1.326 -0.445 0 CA-C-O 121.162 0.506 . . . . 0.0 110.352 178.894 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.456 -0.681 0 CA-C-O 121.042 0.351 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -89.05 122.5 32.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.497 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 39.5 ttpt -86.05 130.62 49.51 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 1.8 Cg_endo -78.65 154.75 27.23 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.079 1.853 . . . . 0.0 111.482 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -72.39 131.13 42.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.54 112.71 18.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo . . . . . 0 C--O 1.233 0.238 0 C-N-CA 122.754 2.302 . . . . 0.0 112.34 -179.261 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 120.928 0.394 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -91.26 156.39 43.73 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.375 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.43 -31.85 87.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.303 2.002 . . . . 0.0 111.843 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -65.79 -33.32 75.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.205 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.044 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.0 mm? -65.34 -37.74 87.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.249 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.36 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.519 . . . . 0.0 110.334 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.44 96.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.503 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -62.02 -44.14 97.34 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.791 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 47.4 mt-10 -61.46 -28.94 69.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.704 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -75.91 -40.76 53.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.056 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.33 -37.29 85.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.433 0.635 . . . . 0.0 109.735 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.94 -39.16 93.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.967 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.12 92.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.07 88.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.248 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -64.93 -51.5 61.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.4 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.2 -23.91 67.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -65.02 -52.76 54.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.801 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.69 -41.11 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.727 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.98 81.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.071 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.91 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.535 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 N--CA 1.457 -0.635 0 CA-C-O 120.841 0.267 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -93.0 139.91 30.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 23.7 ttpp -89.57 129.28 47.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.495 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 12.2 Cg_endo -58.61 155.99 34.18 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.701 1.601 . . . . 0.0 110.952 171.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -88.58 135.01 33.71 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.959 0.409 . . . . 0.0 111.314 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.43 116.33 52.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.727 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo . . . . . 0 N--CA 1.464 -0.253 0 C-N-CA 122.495 2.13 . . . . 0.0 111.705 175.606 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.976 0.417 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -90.24 157.05 45.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.565 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.0 -32.82 70.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.474 2.116 . . . . 0.0 111.939 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.87 -37.21 85.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.536 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -73.86 -36.55 64.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.792 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -67.73 -38.07 83.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.687 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.78 91.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.31 92.04 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.432 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.495 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 68.5 t80 -63.94 -49.12 73.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.88 177.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.29 -32.99 73.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.103 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.81 -45.06 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 110.327 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.35 -30.65 62.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.526 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 48.2 tp -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.84 176.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.01 95.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.699 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.44 88.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -63.87 -47.72 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.906 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 55.6 mt-10 -62.37 -27.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -63.16 -50.48 70.22 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.6 -31.79 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.453 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.2 -44.58 87.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.92 86.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.956 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.1 t80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.557 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo . . . . . 0 N--CA 1.46 -0.478 0 N-CA-C 111.498 -0.232 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -88.4 119.65 29.03 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.959 0.409 . . . . 0.0 110.526 -175.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.65 129.1 66.86 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.392 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -61.18 139.5 84.0 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.814 1.676 . . . . 0.0 110.797 172.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.57 130.41 35.04 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.219 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -71.93 115.93 43.26 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.037 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo . . . . . 0 C--N 1.342 0.229 0 C-N-CA 122.734 2.289 . . . . 0.0 112.016 178.89 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 120.738 0.304 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -76.73 157.27 82.21 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.703 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.53 -32.37 53.08 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.707 2.271 . . . . 0.0 112.178 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.0 -34.29 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.539 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -72.38 -34.3 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -66.3 -36.95 84.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.499 173.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.39 86.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.19 0.519 . . . . 0.0 110.081 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.16 83.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.654 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -60.07 -43.28 95.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.457 175.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.93 -33.76 76.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -70.9 -45.08 64.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.322 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.91 -29.04 66.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.261 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.64 -40.22 96.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.155 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.43 94.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 -38.25 76.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.522 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.76 -48.14 70.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.303 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -62.33 -21.54 65.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.689 0.281 . . . . 0.0 111.133 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -62.53 -53.3 56.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.403 0.62 . . . . 0.0 109.495 173.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.97 -32.71 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.818 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.58 -39.28 93.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.621 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.57 85.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.191 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.24 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.046 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.394 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.461 -0.407 0 CA-C-O 120.728 0.22 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.33 145.46 24.95 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -69.48 135.71 88.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.48 158.57 12.52 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 122.741 2.294 . . . . 0.0 113.465 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -55.47 124.6 17.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.992 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -85.42 115.59 62.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.201 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo . . . . . 0 C--O 1.236 0.383 0 C-N-CA 122.754 2.303 . . . . 0.0 112.148 177.256 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -75.9 157.3 83.81 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.73 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.11 -30.38 60.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.255 1.97 . . . . 0.0 111.886 173.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.657 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.28 -33.1 67.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.9 mm? -65.6 -36.72 84.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.52 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.76 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.988 0.423 . . . . 0.0 110.254 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.51 98.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.598 175.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.38 -44.13 97.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.717 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 49.9 mt-10 -59.81 -33.82 72.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.392 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.13 -45.92 72.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.147 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.85 -33.15 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.177 0.513 . . . . 0.0 110.338 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.27 -38.59 91.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.204 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.53 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.52 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.078 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.36 -50.01 69.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.925 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.38 -30.09 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -50.74 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 176.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.79 -34.13 77.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.254 0.55 . . . . 0.0 110.121 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.86 -35.69 81.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.498 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.62 69.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.323 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.84 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.9 t80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -179.117 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 N--CA 1.459 -0.5 0 CA-C-O 121.017 0.34 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -79.7 126.49 31.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -86.88 119.08 70.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.76 151.06 40.31 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.269 1.979 . . . . 0.0 111.987 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.18 128.69 34.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.689 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -69.44 115.67 34.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.56 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo . . . . . 0 C--N 1.345 0.383 0 C-N-CA 123.181 2.587 . . . . 0.0 113.172 -176.654 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB1' HD21 ' A' ' 17' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.41 0 CA-C-O 121.152 0.501 . . . . 0.0 111.663 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 p -84.45 154.3 62.47 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.247 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.4 -32.42 62.12 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.618 2.212 . . . . 0.0 112.491 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.1 -40.52 96.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.473 . . . . 0.0 110.552 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.14 -35.47 66.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.7 mm? -66.04 -38.58 88.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 174.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.19 96.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.48 81.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.435 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.74 -47.32 85.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.094 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.34 -33.09 73.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -70.48 -42.86 70.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.36 -33.07 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -65.08 -45.93 83.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.286 177.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.15 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.474 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.46 72.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.566 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.68 -49.09 76.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.74 -34.15 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 110.434 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -65.25 -53.68 40.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.96 -32.13 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.092 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.07 -39.02 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.618 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 -28.17 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.476 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.33 -20.2 30.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.3 t80 . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.548 -178.58 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.461 -0.395 0 CA-C-O 120.833 0.264 . . . . 0.0 111.568 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -100.1 138.67 36.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.0 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -84.5 119.34 72.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.47 152.92 80.44 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.131 1.887 . . . . 0.0 111.654 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -85.58 125.74 33.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.641 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.57 119.89 78.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.913 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.236 0.41 0 C-N-CA 122.688 2.259 . . . . 0.0 112.292 176.699 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.847 0.356 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.4 p -102.17 147.31 33.76 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.37 -33.38 66.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.418 2.079 . . . . 0.0 111.962 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.67 -36.67 85.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.362 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -78.06 -33.78 50.73 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.6 mm? -65.39 -34.68 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.161 174.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.23 90.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.035 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.57 89.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.506 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.84 -46.98 87.1 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.58 -25.72 68.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.696 0.284 . . . . 0.0 111.103 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -70.39 -47.03 62.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.13 -37.13 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.354 0.597 . . . . 0.0 109.687 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.97 -40.2 95.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.501 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.41 90.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -40.67 69.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.374 177.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -63.93 -48.22 77.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.38 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -59.81 -32.82 71.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.255 0.55 . . . . 0.0 110.078 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.06 -54.59 20.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.184 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.11 -31.6 72.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.168 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.86 -41.54 97.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.69 -35.81 80.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.716 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.65 -28.84 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.296 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 121.069 0.461 . . . . 0.0 110.556 -178.309 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo . . . . . 0 N--CA 1.458 -0.563 0 CA-C-O 120.906 0.294 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -98.09 133.64 42.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HD2' ' HD2' ' A' ' 5' ' ' PRO . 24.4 tptm -67.12 118.91 60.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD2' ' HD2' ' A' ' 4' ' ' LYS . 11.3 Cg_endo -55.95 145.78 72.11 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.502 2.135 . . . . 0.0 112.441 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.88 121.92 17.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.929 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -82.04 115.5 57.82 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo . . . . . 0 N--CA 1.461 -0.413 0 C-N-CA 122.425 2.083 . . . . 0.0 111.281 176.813 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.766 0.317 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -80.76 153.18 72.89 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.822 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.36 -27.87 41.1 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.696 2.264 . . . . 0.0 112.201 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.94 -32.6 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -78.41 -32.34 48.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -67.32 -35.69 79.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.455 173.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.37 90.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.302 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.6 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.485 174.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -61.94 -43.74 98.22 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.549 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.06 -34.82 75.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -71.42 -40.82 70.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.916 0.389 . . . . 0.0 109.968 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.13 -34.41 77.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.19 -41.85 99.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.168 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.91 96.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.41 73.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.343 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.51 -50.24 68.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.355 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.42 -27.08 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 110.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -64.91 -53.03 52.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.9 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.59 -35.16 80.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.356 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.21 -43.47 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.1 69.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.02 -23.44 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.1 t80 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 110.572 -179.198 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 N--CA 1.462 -0.348 0 CA-C-O 121.209 0.421 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.85 142.28 46.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.444 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -85.36 128.63 58.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.19 156.95 56.42 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.243 1.962 . . . . 0.0 111.866 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.73 127.42 33.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.909 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -82.53 116.75 65.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.889 0.376 . . . . 0.0 110.725 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 72.0 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 C-N-CA 123.001 2.467 . . . . 0.0 111.74 174.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.502 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 120.798 0.332 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 p -100.56 155.41 36.39 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.746 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -55.88 -31.92 83.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.05 -31.73 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.857 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.93 -35.91 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -64.95 -35.89 82.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.479 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.7 94.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.078 0.466 . . . . 0.0 110.38 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.07 97.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.576 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.16 -43.85 98.24 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 50.2 mt-10 -61.74 -34.78 76.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.704 0.288 . . . . 0.0 110.633 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 2.8 tmmm? -70.78 -43.84 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -64.41 -38.68 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 0.0 110.044 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.67 -44.15 91.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.29 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -39.57 90.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.644 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.87 82.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.181 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.26 -49.99 69.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.331 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.68 -32.18 72.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.22 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.05 -48.88 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.22 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.93 -33.87 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.87 -40.33 97.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.925 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -32.52 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.199 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.04 -14.01 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.6 t80 . . . . . 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 110.217 -178.821 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo . . . . . 0 N--CA 1.461 -0.424 0 CA-C-O 120.905 0.294 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.56 127.04 35.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.054 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 38.7 ttpt -83.95 132.47 48.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.853 -179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.2 Cg_exo -74.01 161.24 41.55 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.019 1.813 . . . . 0.0 111.771 -178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.73 125.23 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -83.13 122.54 77.62 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.088 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--O 1.236 0.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.268 172.703 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.6 p -85.3 156.02 59.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -55.3 -25.12 45.66 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.608 2.205 . . . . 0.0 111.884 175.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.83 -34.29 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.416 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -79.84 -32.17 40.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.793 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.78 -31.06 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.454 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.51 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.782 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.2 82.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.327 176.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.86 -47.22 86.02 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.65 -28.47 69.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.042 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -68.76 -47.26 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.089 0.471 . . . . 0.0 110.155 174.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -71.46 -30.23 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.033 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.35 -40.0 94.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.51 90.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.63 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.438 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -65.04 -46.69 80.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.816 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.82 -30.96 70.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.27 -48.38 73.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -66.74 -36.81 83.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.581 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.87 -41.34 97.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.601 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.48 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.247 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.06 -27.19 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.3 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.508 0.671 . . . . 0.0 110.421 -179.474 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.522 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -45.1 118.2 1.91 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.907 2.405 . . . . 0.0 112.22 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.522 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 55.2 Cg_endo -79.89 143.9 16.73 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.348 2.032 . . . . 0.0 111.658 178.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -88.87 130.27 35.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.11 0.481 . . . . 0.0 110.966 -175.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -83.43 122.97 77.23 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.2 151.38 73.72 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.001 1.801 . . . . 0.0 111.836 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -71.89 126.89 30.9 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.553 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -83.06 115.72 60.42 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.928 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -69.29 133.81 27.37 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.272 1.981 . . . . 0.0 110.908 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.11 -145.84 7.05 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.686 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -80.09 -17.07 53.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.229 0.538 . . . . 0.0 110.606 -178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -87.58 25.23 1.5 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.33 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.51 156.98 46.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.972 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.9 p -78.39 150.95 77.45 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.923 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.18 -31.26 65.02 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.723 2.282 . . . . 0.0 112.124 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.28 -29.92 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.744 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -80.66 -32.91 35.97 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -65.8 -36.75 84.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.237 174.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.78 87.27 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.258 0.551 . . . . 0.0 110.43 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.03 -42.6 99.81 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.588 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.0 -45.97 89.89 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.005 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -61.3 -32.43 72.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.888 0.375 . . . . 0.0 110.711 -179.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.27 -40.92 64.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.319 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.33 -33.4 71.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.109 0.481 . . . . 0.0 110.116 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.24 -41.3 97.04 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.973 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.95 -35.93 78.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.953 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.25 -42.32 65.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.224 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.77 -47.23 84.39 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.04 -30.39 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.768 0.318 . . . . 0.0 110.681 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -65.83 -52.88 46.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.88 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -65.02 -32.22 73.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.566 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.0 tp -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.284 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.85 74.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.899 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.76 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -65.51 -34.17 77.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.795 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.254 -0.43 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.583 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -50.28 109.09 0.26 Allowed 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.702 2.268 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.583 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 19.1 Cg_endo -82.53 147.9 14.15 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.463 2.108 . . . . 0.0 112.411 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -94.83 133.83 38.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.332 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 63.8 tttp -90.09 130.14 43.38 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 5.2 Cg_exo -75.67 161.25 37.04 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 121.922 1.748 . . . . 0.0 111.885 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -76.68 125.78 29.84 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -78.66 115.02 48.53 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.766 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -64.5 103.9 0.49 Allowed 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.464 2.109 . . . . 0.0 111.766 177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.33 -38.05 13.56 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.996 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -146.73 178.46 8.29 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.2 m120 61.42 25.27 15.24 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.576 0.227 . . . . 0.0 111.542 179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -153.0 148.14 26.73 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.964 0.412 . . . . 0.0 111.272 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.2 p -84.78 160.52 55.63 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.727 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.9 -30.76 59.76 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.45 2.1 . . . . 0.0 111.884 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.03 -33.0 75.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.769 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.67 -33.33 68.76 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.2 mm? -66.7 -35.4 80.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.338 174.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.68 93.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.206 0.527 . . . . 0.0 110.046 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.41 98.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.564 175.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -62.95 -44.73 95.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.561 176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.12 -31.6 71.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.955 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -70.81 -42.48 70.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.967 0.413 . . . . 0.0 109.964 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.24 -35.36 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.118 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.36 -40.07 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.992 177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.85 -38.39 88.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.442 177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.96 78.63 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.261 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -63.35 -49.45 73.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.217 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -62.72 -29.1 70.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.649 0.261 . . . . 0.0 110.675 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -64.98 -49.9 68.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.946 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -66.63 -33.31 75.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.34 -37.81 88.19 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.14 75.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.773 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.11 -1.41 56.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.398 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -97.23 120.84 38.33 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.501 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_exo -50.17 122.47 9.33 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.729 2.286 . . . . 0.0 111.759 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -69.55 141.0 44.88 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.274 1.983 . . . . 0.0 112.374 -178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -101.38 136.69 40.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.511 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -76.76 129.02 80.32 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.788 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -66.09 155.92 67.22 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.132 1.888 . . . . 0.0 111.519 173.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 58.8 mttp -79.58 132.66 36.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.495 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -85.62 111.55 38.09 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.39 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 16.2 Cg_exo -67.1 108.2 1.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.746 2.297 . . . . 0.0 111.74 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.33 -45.67 1.06 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.686 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -96.17 130.94 43.1 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.006 -0.114 . . . . 0.0 110.827 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 56.2 49.13 15.97 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.471 0.482 . . . . 0.0 111.105 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.11 141.22 52.21 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.344 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.6 p -93.31 149.11 36.82 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.021 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -54.49 -28.58 55.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.424 2.082 . . . . 0.0 111.848 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -63.46 -36.31 83.34 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -75.0 -38.13 61.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.098 0.475 . . . . 0.0 109.866 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.8 mm? -67.14 -35.91 80.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.937 176.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.42 82.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.194 0.521 . . . . 0.0 110.26 177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.88 -42.82 89.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.401 174.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -62.46 -46.17 89.72 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.747 178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.78 -31.75 71.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.647 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -67.2 -44.95 78.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.05 0.452 . . . . 0.0 109.785 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.97 -30.48 62.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.338 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 tp -63.77 -40.14 95.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.775 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -43.16 94.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.685 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -41.37 76.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.463 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -64.11 -51.16 65.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.4 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -63.47 -33.7 76.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.721 0.296 . . . . 0.0 110.357 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -64.79 -49.66 69.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.261 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.36 -37.37 86.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.156 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.3 tp -64.95 -44.87 88.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.93 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.61 -32.1 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 -25.08 42.44 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.152 177.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -78.07 -47.83 17.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.052 0.453 . . . . 0.0 110.46 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.175 -0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -51.18 122.72 10.53 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.927 2.418 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -69.0 147.81 68.61 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.343 2.028 . . . . 0.0 112.34 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -99.53 128.2 45.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.17 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.49 126.69 68.42 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.808 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 18.7 Cg_endo -60.9 153.45 63.26 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.18 1.92 . . . . 0.0 111.834 177.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -78.14 116.19 18.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.001 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -66.6 117.94 49.31 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.737 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -63.87 121.62 9.39 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.681 2.254 . . . . 0.0 112.076 176.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.61 -44.37 0.13 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.769 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -88.07 114.31 24.57 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.209 . . . . 0.0 110.443 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 54.91 72.91 0.44 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.166 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.62 141.24 27.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -83.67 155.1 65.45 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.028 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_exo -54.19 -33.12 73.55 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.376 2.051 . . . . 0.0 112.05 176.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -66.98 -29.68 69.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.916 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -71.13 -31.95 68.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.7 mm? -67.76 -36.25 80.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.571 173.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.37 -35.29 80.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.326 0.584 . . . . 0.0 110.229 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.74 96.18 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.409 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 64.5 t80 -62.17 -45.77 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.836 177.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.24 -27.07 68.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.744 0.307 . . . . 0.0 110.967 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -67.15 -45.38 77.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.959 0.409 . . . . 0.0 110.081 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.06 -28.23 57.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.032 0.444 . . . . 0.0 110.399 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 49.2 tp -62.37 -42.25 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.888 176.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.51 76.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.774 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.99 72.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.237 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -65.8 -46.5 78.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.178 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 53.6 mt-10 -60.77 -32.15 71.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.16 -47.48 76.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.023 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -66.88 -34.96 78.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.601 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.5 tp -63.01 -45.98 89.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.765 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.85 -27.96 69.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.27 -30.71 38.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -74.03 -54.45 7.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.525 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.138 -0.483 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.269 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.92 122.96 12.32 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 123.027 2.485 . . . . 0.0 111.513 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -68.99 144.09 56.91 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.23 1.953 . . . . 0.0 112.083 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -82.12 122.88 28.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.884 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -90.67 121.36 68.33 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.064 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.18 152.95 62.35 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.176 1.917 . . . . 0.0 111.485 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.39 121.65 16.21 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -70.67 111.1 8.48 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.94 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -90.43 164.46 4.42 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.084 2.523 . . . . 0.0 112.486 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.03 -113.78 0.88 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 175.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -81.49 -9.36 59.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.224 0.535 . . . . 0.0 109.861 178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -78.42 -6.5 55.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.021 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -137.83 173.17 11.92 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.46 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.3 p -78.22 153.65 79.57 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.406 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -56.9 -28.35 77.04 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.284 1.989 . . . . 0.0 111.488 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.78 -36.19 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.354 176.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -68.16 -33.54 74.64 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.74 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.1 mm? -64.53 -42.58 95.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.323 174.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.32 -41.8 98.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 0.0 110.315 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.67 98.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.519 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -62.33 -46.93 86.49 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.745 178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -61.28 -30.26 70.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.693 -0.23 . . . . 0.0 110.981 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -73.73 -46.35 46.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.895 0.379 . . . . 0.0 110.269 176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -67.05 -31.8 72.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.245 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 30.9 tp -65.77 -41.34 92.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.184 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.85 97.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.401 178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.34 84.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.516 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.04 -49.34 70.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.915 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 50.7 mt-10 -61.68 -28.79 69.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 110.542 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.96 -50.32 69.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.937 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.99 -34.41 77.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.751 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 tp -64.39 -42.25 96.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.604 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.45 -36.77 83.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.897 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.95 -25.8 61.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -69.09 -41.85 76.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.443 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.11 -0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.171 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -53.79 123.08 12.54 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 123.053 2.502 . . . . 0.0 111.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.96 150.57 34.33 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.402 2.068 . . . . 0.0 112.057 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.17 132.85 39.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.489 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -92.85 127.62 47.0 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -69.7 159.34 53.82 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.33 2.02 . . . . 0.0 111.641 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -71.49 116.67 12.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.922 0.391 . . . . 0.0 110.591 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 tttm -71.43 128.11 90.41 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.619 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.5 145.92 92.51 Favored 'Trans proline' 0 C--O 1.238 0.49 0 C-N-CA 122.398 2.065 . . . . 0.0 111.403 172.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.01 -128.88 5.25 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.479 -176.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -84.87 -24.33 28.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 0.0 110.82 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -91.73 64.41 4.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.351 -178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.35 143.14 8.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.594 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.1 p -77.48 156.23 81.1 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.846 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.44 -35.37 65.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.658 2.239 . . . . 0.0 112.565 175.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -66.65 -33.25 75.23 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.792 0.33 . . . . 0.0 110.765 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -69.98 -38.4 76.04 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.6 mm? -65.7 -35.99 82.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.63 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.75 84.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.049 0.452 . . . . 0.0 110.477 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.08 96.13 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.503 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -65.2 -45.33 85.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.896 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 42.9 mt-10 -61.84 -27.36 68.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.088 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -67.92 -37.41 81.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.174 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -82.09 -32.82 30.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.436 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.21 85.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.78 75.68 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.274 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CE1' HD22 ' A' ' 31' ' ' LEU . 66.7 t80 -62.64 -49.42 75.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.874 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.7 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.7 tttm -65.04 -53.37 46.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.868 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -67.29 -34.6 77.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.453 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD22 ' CE1' ' A' ' 27' ' ' TYR . 23.6 tp -63.92 -41.44 97.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.598 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 -24.49 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.296 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.53 -26.05 41.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.467 . . . . 0.0 110.69 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -84.03 -33.85 24.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.592 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.282 -0.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.431 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.174 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.53 116.51 3.03 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.827 2.351 . . . . 0.0 111.905 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.431 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 42.6 Cg_endo -78.95 144.86 19.27 Favored 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.247 1.965 . . . . 0.0 111.891 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 3.8 ttmp? -89.33 130.95 35.63 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.514 -177.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -76.41 120.4 81.52 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.66 154.09 45.15 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.328 2.019 . . . . 0.0 111.929 -177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.82 121.27 21.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -73.27 119.35 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.338 178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -83.25 162.6 15.23 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 122.554 2.17 . . . . 0.0 111.716 176.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.3 -36.51 0.12 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.96 176.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -73.41 100.76 3.3 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 11' ' ' ASN . 0.9 OUTLIER 65.51 29.87 10.96 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.167 -179.388 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.39 151.85 24.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.872 0.368 . . . . 0.0 110.982 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.3 p -82.58 155.51 68.59 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.723 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -54.88 -32.75 79.06 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.536 2.157 . . . . 0.0 112.076 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -36.69 84.83 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.153 177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -67.35 -38.37 84.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.87 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -67.07 -43.38 82.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.837 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.22 78.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.093 0.473 . . . . 0.0 110.455 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -61.75 -44.69 96.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.275 175.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -63.83 -41.17 97.9 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.968 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -59.0 -31.55 68.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.015 0.436 . . . . 0.0 110.425 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -75.56 -41.38 54.94 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.095 176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.9 mt-10 -63.46 -36.82 85.03 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.269 0.557 . . . . 0.0 109.858 177.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 28' ' ' GLU . 42.9 tp -64.34 -44.97 89.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.053 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.92 97.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.566 178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.01 92.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.546 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -65.33 -47.99 74.61 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.075 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 76.3 mm-40 -60.67 -30.78 70.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.024 0.44 . . . . 0.0 110.517 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -63.76 -47.46 80.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.673 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -68.64 -34.86 76.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.903 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 tp -64.28 -39.9 94.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.3 -33.98 74.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.209 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.83 4.2 48.54 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.192 0.52 . . . . 0.0 111.208 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -110.53 136.59 49.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.062 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.584 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.38 118.21 5.13 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 123.635 2.89 . . . . 0.0 112.738 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -61.42 146.54 97.04 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.473 2.115 . . . . 0.0 111.875 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -94.05 120.1 33.83 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.305 -178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.86 128.99 63.6 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.37 145.34 94.24 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.072 1.848 . . . . 0.0 111.638 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -78.58 113.51 16.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.046 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 82.2 tttt -65.54 117.53 41.85 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.644 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 10.1 Cg_exo -70.7 109.56 2.53 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.528 2.152 . . . . 0.0 111.172 173.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.62 -48.08 0.31 Allowed Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.672 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -83.98 118.89 24.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 58.82 74.79 0.42 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.268 0.556 . . . . 0.0 110.09 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -163.41 134.82 4.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.754 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.6 p -83.0 157.46 66.2 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.641 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -54.68 -29.23 60.52 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.423 2.082 . . . . 0.0 111.921 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.63 -35.32 80.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.511 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -73.45 -30.82 63.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.324 0.583 . . . . 0.0 109.978 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.11 -25.42 66.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.004 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.76 93.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 110.407 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.9 -43.72 98.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.535 176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -61.54 -48.23 81.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.535 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -62.42 -32.44 73.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -67.19 -45.46 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.958 0.408 . . . . 0.0 110.077 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.54 -31.14 63.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.383 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.28 -42.78 96.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.368 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.05 96.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.487 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.26 -42.32 88.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.322 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -62.42 -47.05 85.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.04 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.79 -30.19 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.659 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -49.14 68.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -64.08 -35.89 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.401 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.82 -39.13 93.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.802 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.89 -34.46 78.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.938 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.78 -24.97 48.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.079 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -84.01 91.06 7.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.514 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.311 -0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.281 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -55.87 122.42 11.72 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.655 2.237 . . . . 0.0 111.722 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -74.62 136.89 21.89 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.3 2.0 . . . . 0.0 111.857 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -85.71 126.54 34.04 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.767 -175.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 62.4 tttp -75.46 125.48 88.7 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 13.2 Cg_exo -66.02 152.4 81.43 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.795 1.663 . . . . 0.0 111.549 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -68.14 110.92 4.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.892 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -74.9 120.55 82.14 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.788 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.57 149.98 79.82 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.592 2.194 . . . . 0.0 111.36 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.55 -97.83 0.58 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.054 -1.07 . . . . 0.0 113.302 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -82.14 -37.03 26.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.924 0.392 . . . . 0.0 111.831 -171.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -108.85 70.44 0.74 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.128 0.49 . . . . 0.0 110.666 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.91 151.74 16.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.534 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.2 p -83.93 153.38 63.65 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.609 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -54.17 -31.92 67.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.69 2.26 . . . . 0.0 112.294 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -63.51 -36.65 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.552 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -70.35 -34.2 72.36 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.956 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.8 mm? -67.1 -40.38 86.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 174.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.9 90.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.301 0.572 . . . . 0.0 110.122 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -44.97 96.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.572 174.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -60.52 -42.39 96.32 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.496 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 51.0 mt-10 -61.48 -32.42 72.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.837 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -75.33 -39.05 59.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.015 0.436 . . . . 0.0 110.279 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.98 -31.66 66.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.295 0.569 . . . . 0.0 109.781 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.9 tp -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.077 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.97 87.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.77 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.72 -43.48 72.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.082 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -62.3 -46.81 87.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.048 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.31 -31.67 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.698 0.285 . . . . 0.0 110.855 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -65.49 -48.63 71.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.141 0.496 . . . . 0.0 109.891 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.77 -35.09 79.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.483 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.62 -40.83 96.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.544 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.74 83.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.969 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.21 -32.97 65.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -70.04 -44.3 69.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.708 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.196 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.599 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -57.31 113.75 1.63 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.969 2.446 . . . . 0.0 111.765 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.599 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 56.7 Cg_endo -83.2 143.7 11.42 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.479 2.119 . . . . 0.0 112.151 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -88.49 138.02 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.885 -177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -79.24 128.34 76.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.982 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -71.4 151.79 59.99 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.095 1.863 . . . . 0.0 111.07 176.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -78.35 131.48 37.02 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -71.08 124.6 91.28 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.584 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.5 156.91 10.33 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.524 2.149 . . . . 0.0 112.313 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.66 -173.75 40.78 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.632 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.78 -9.15 59.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.137 0.494 . . . . 0.0 110.802 -177.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -96.39 12.46 31.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.02 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.76 151.59 21.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.089 0.471 . . . . 0.0 111.2 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 p -75.97 155.72 84.55 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.185 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -53.44 -33.94 69.36 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.575 2.183 . . . . 0.0 112.072 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.08 -32.73 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.57 178.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -76.36 -34.71 58.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.888 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -66.74 -38.45 86.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.287 174.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.54 -36.62 78.86 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.441 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.24 99.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.535 175.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -62.42 -46.23 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 176.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -61.0 -32.12 71.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -65.99 -41.68 90.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.343 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.44 -29.07 46.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.395 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.31 -39.18 93.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.771 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.39 93.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.525 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.78 86.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.343 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.6 -48.8 75.9 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.866 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.24 -29.26 70.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.836 0.35 . . . . 0.0 110.917 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -65.13 -50.58 65.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.169 0.509 . . . . 0.0 110.184 174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.55 -31.01 70.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.927 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.34 -39.47 93.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.464 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.62 -33.89 75.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.144 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.32 -14.87 56.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -91.05 -33.86 15.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.222 0.534 . . . . 0.0 110.337 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.218 -0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.655 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.233 0.198 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.46 115.66 2.35 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 123.14 2.56 . . . . 0.0 112.22 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.655 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 73.3 Cg_endo -85.57 153.48 10.38 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.901 2.401 . . . . 0.0 112.34 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.11 137.84 44.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 37.1 ttmt -78.08 138.2 60.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -176.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.7 Cg_exo -73.38 159.55 46.45 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.346 2.031 . . . . 0.0 111.838 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -80.7 122.42 27.1 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.301 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -85.05 113.74 51.83 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.507 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.61 143.45 98.41 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.007 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.29 -148.39 23.85 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.664 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -69.18 -31.82 70.7 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.885 0.374 . . . . 0.0 111.719 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -85.71 25.61 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.572 -174.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.72 153.0 41.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.723 0.297 . . . . 0.0 110.668 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -83.35 153.53 65.71 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -178.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.87 -28.05 56.44 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.568 2.179 . . . . 0.0 111.782 174.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.47 -36.82 85.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.399 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -76.41 -28.0 56.51 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.997 0.427 . . . . 0.0 109.888 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.2 mm? -65.97 -35.68 81.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.171 173.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.18 84.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.136 0.493 . . . . 0.0 110.256 176.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 23' ' ' GLU . . . -63.26 -45.68 90.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.304 174.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.85 -45.55 94.08 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.951 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.93 -31.55 72.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.821 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.47 -43.71 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.948 0.404 . . . . 0.0 109.947 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 44.3 mt-10 -66.05 -37.95 87.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.79 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -64.53 -39.89 94.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.248 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -40.77 97.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.766 178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.89 91.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.037 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.95 -48.1 80.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.044 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -61.98 -33.69 74.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.655 0.264 . . . . 0.0 110.681 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -67.38 -48.64 66.82 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.196 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.63 -34.16 77.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.134 0.492 . . . . 0.0 109.98 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.41 -38.45 91.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.545 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.27 -27.17 68.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.034 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.14 -5.12 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -101.21 -30.14 11.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.162 0.506 . . . . 0.0 110.352 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.192 -0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 7.6 Cg_endo -50.87 121.27 7.84 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.12 2.547 . . . . 0.0 112.028 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 2.1 Cg_endo -73.29 142.82 34.29 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.19 1.926 . . . . 0.0 111.749 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -89.05 122.5 32.44 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.497 -176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 39.5 ttpt -86.05 130.62 49.51 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 1.8 Cg_endo -78.65 154.75 27.23 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 122.079 1.853 . . . . 0.0 111.482 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -72.39 131.13 42.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.738 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -74.54 112.71 18.53 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -62.51 118.37 5.26 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.754 2.302 . . . . 0.0 112.34 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.43 -46.82 0.1 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.804 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -89.59 106.51 18.51 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.2 t30 65.84 79.31 0.25 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.816 0.698 . . . . 0.0 110.637 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -154.14 144.06 21.86 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.017 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -91.26 156.39 43.73 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.375 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.43 -31.85 87.06 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.303 2.002 . . . . 0.0 111.843 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -65.79 -33.32 75.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.205 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -72.83 -33.02 65.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.044 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.0 mm? -65.34 -37.74 87.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.249 175.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.36 92.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.519 . . . . 0.0 110.334 177.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.43 -44.44 96.43 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.503 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -62.02 -44.14 97.34 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.791 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 47.4 mt-10 -61.46 -28.94 69.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.704 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -75.91 -40.76 53.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.056 177.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -66.33 -37.29 85.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.433 0.635 . . . . 0.0 109.735 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.5 tp -64.94 -39.16 93.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.967 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.12 92.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 176.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.97 -43.07 88.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.248 177.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -64.93 -51.5 61.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.4 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -64.2 -23.91 67.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -177.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -65.02 -52.76 54.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.2 -32.71 73.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.801 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.69 -41.11 98.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.727 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.72 -35.98 81.52 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.071 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.25 -18.91 48.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -72.01 118.79 15.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.535 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 116.381 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -61.35 116.93 3.72 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.951 2.434 . . . . 0.0 111.85 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -78.69 145.83 20.71 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.198 1.932 . . . . 0.0 111.732 177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -93.0 139.91 30.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 5' ' ' PRO . 23.7 ttpp -89.57 129.28 47.59 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.495 ' O ' ' HE2' ' A' ' 20' ' ' TYR . 12.2 Cg_endo -58.61 155.99 34.18 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 121.701 1.601 . . . . 0.0 110.952 171.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -88.58 135.01 33.71 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.959 0.409 . . . . 0.0 111.314 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.43 116.33 52.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.727 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -61.22 116.73 3.57 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.495 2.13 . . . . 0.0 111.705 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.35 -45.07 0.54 Allowed Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.821 -176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -98.31 126.38 43.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.833 0.349 . . . . 0.0 110.797 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.57 70.43 0.55 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.548 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.7 134.51 37.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.561 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -90.24 157.05 45.7 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.565 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.0 -32.82 70.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.474 2.116 . . . . 0.0 111.939 175.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.87 -37.21 85.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.536 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -73.86 -36.55 64.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.792 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -67.73 -38.07 83.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.687 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.24 -40.78 91.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -43.31 92.04 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.432 175.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.495 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 68.5 t80 -63.94 -49.12 73.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.88 177.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -62.29 -32.99 73.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.673 -0.24 . . . . 0.0 111.103 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.81 -45.06 87.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.013 0.435 . . . . 0.0 110.327 177.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -74.35 -30.65 62.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.526 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 48.2 tp -63.01 -42.49 99.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.84 176.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.01 95.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.699 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.59 -40.44 88.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.276 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -63.87 -47.72 79.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.906 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 55.6 mt-10 -62.37 -27.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.692 -178.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -63.16 -50.48 70.22 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.6 -31.79 72.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.453 178.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.2 -44.58 87.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.515 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.92 86.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.956 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -66.8 -46.27 75.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.992 -0.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.214 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.27 119.95 7.39 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 123.197 2.598 . . . . 0.0 112.05 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -73.05 148.28 44.56 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.408 2.072 . . . . 0.0 111.498 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -88.4 119.65 29.03 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.959 0.409 . . . . 0.0 110.526 -175.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -81.65 129.1 66.86 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.392 -177.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -61.18 139.5 84.0 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.814 1.676 . . . . 0.0 110.797 172.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -81.57 130.41 35.04 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.219 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -71.93 115.93 43.26 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.037 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -54.42 116.07 2.82 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.734 2.289 . . . . 0.0 112.016 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.45 15.84 3.16 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.532 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -106.72 -63.65 1.26 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.862 0.363 . . . . 0.0 110.209 177.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -163.8 92.59 0.7 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.151 178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.0 155.8 44.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.698 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -76.73 157.27 82.21 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.703 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -52.53 -32.37 53.08 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.707 2.271 . . . . 0.0 112.178 177.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.0 -34.29 78.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.539 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -72.38 -34.3 67.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -66.3 -36.95 84.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.499 173.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.28 -40.39 86.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.19 0.519 . . . . 0.0 110.081 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -41.16 83.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.654 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -60.07 -43.28 95.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.457 175.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.93 -33.76 76.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.801 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -70.9 -45.08 64.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.322 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -69.91 -29.04 66.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.063 0.459 . . . . 0.0 110.261 178.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.4 tp -63.64 -40.22 96.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.155 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.43 94.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.779 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.89 -38.25 76.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.522 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -66.76 -48.14 70.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.303 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -62.33 -21.54 65.36 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.689 0.281 . . . . 0.0 111.133 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -62.53 -53.3 56.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.403 0.62 . . . . 0.0 109.495 173.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -67.97 -32.71 73.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.818 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.58 -39.28 93.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.621 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.57 85.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.191 178.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.89 -24.24 52.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.046 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -75.13 -33.41 61.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.394 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.67 125.56 19.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.976 2.451 . . . . 0.0 111.697 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -75.6 148.48 33.08 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.045 1.83 . . . . 0.0 111.78 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.33 145.46 24.95 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -69.48 135.71 88.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.48 158.57 12.52 Favored 'Trans proline' 0 C--O 1.24 0.603 0 C-N-CA 122.741 2.294 . . . . 0.0 113.465 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -55.47 124.6 17.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.992 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -85.42 115.59 62.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.201 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.89 142.28 97.15 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.754 2.303 . . . . 0.0 112.148 177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.45 -179.23 44.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.126 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.25 -27.36 68.6 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.925 0.393 . . . . 0.0 111.033 -176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -78.25 -7.84 57.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.403 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.52 144.23 37.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -75.9 157.3 83.81 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.73 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.11 -30.38 60.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.255 1.97 . . . . 0.0 111.886 173.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -64.34 -33.66 76.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.657 176.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -72.28 -33.1 67.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.245 0.545 . . . . 0.0 109.682 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 3.9 mm? -65.6 -36.72 84.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.52 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.76 87.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.988 0.423 . . . . 0.0 110.254 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.51 98.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.598 175.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -62.38 -44.13 97.19 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.717 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 49.9 mt-10 -59.81 -33.82 72.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.819 0.342 . . . . 0.0 110.392 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.13 -45.92 72.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.147 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.85 -33.15 71.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.177 0.513 . . . . 0.0 110.338 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.6 tp -64.27 -38.59 91.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.204 178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.53 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.446 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.52 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.078 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -64.36 -50.01 69.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.925 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.38 -30.09 70.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.401 . . . . 0.0 110.395 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -50.74 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.287 176.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.79 -34.13 77.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.254 0.55 . . . . 0.0 110.121 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.86 -35.69 81.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.498 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.18 -28.62 69.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.323 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -84.5 -14.84 47.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -85.0 105.86 16.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.292 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.66 109.88 2.19 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.719 2.946 . . . . 0.0 112.842 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -76.95 134.81 15.0 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.186 1.924 . . . . 0.0 111.924 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -79.7 126.49 31.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.795 -177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -86.88 119.08 70.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -74.76 151.06 40.31 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.269 1.979 . . . . 0.0 111.987 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -84.18 128.69 34.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.689 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -69.44 115.67 34.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.56 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -49.06 121.41 6.76 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.181 2.587 . . . . 0.0 113.172 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.13 -51.12 0.56 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.472 177.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -95.95 142.17 28.49 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.0 m120 53.9 39.64 30.66 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.227 0.537 . . . . 0.0 110.363 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.451 ' HB1' HD21 ' A' ' 17' ' ' LEU . . . -88.64 85.46 6.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.663 -174.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 p -84.45 154.3 62.47 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.247 175.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.4 -32.42 62.12 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.618 2.212 . . . . 0.0 112.491 178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.1 -40.52 96.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.473 . . . . 0.0 110.552 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -73.14 -35.47 66.5 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -177.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.7 mm? -66.04 -38.58 88.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 174.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.19 96.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 120.999 0.428 . . . . 0.0 110.166 177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.48 81.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.435 175.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.74 -47.32 85.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.094 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.34 -33.09 73.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -70.48 -42.86 70.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.165 178.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -70.36 -33.07 71.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.163 177.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 tp -65.08 -45.93 83.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.286 177.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.15 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.474 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.15 -42.46 72.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.566 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -62.68 -49.09 76.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -61.74 -34.15 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.072 0.463 . . . . 0.0 110.434 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -65.25 -53.68 40.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.96 -32.13 73.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.092 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.07 -39.02 93.49 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.618 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.48 -28.17 69.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.476 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.33 -20.2 30.32 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.036 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -75.09 118.33 17.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.548 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.431 -0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.202 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -57.29 119.1 6.14 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 123.107 2.538 . . . . 0.0 112.037 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.47 137.9 31.52 Favored 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.132 1.888 . . . . 0.0 111.568 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -100.1 138.67 36.85 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.0 -178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -84.5 119.34 72.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.47 152.92 80.44 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.131 1.887 . . . . 0.0 111.654 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -85.58 125.74 33.34 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.641 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.57 119.89 78.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.913 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.38 133.31 51.47 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.688 2.259 . . . . 0.0 112.292 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.23 -45.46 0.15 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.327 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.18 110.79 13.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.593 0.235 . . . . 0.0 110.415 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.1 m120 58.39 40.19 24.53 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.802 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.87 135.21 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.173 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.4 p -102.17 147.31 33.76 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.426 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -53.37 -33.38 66.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.418 2.079 . . . . 0.0 111.962 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.67 -36.67 85.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.362 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -78.06 -33.78 50.73 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.6 mm? -65.39 -34.68 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.161 174.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.23 90.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.035 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.57 89.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.506 175.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.84 -46.98 87.1 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -63.58 -25.72 68.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.696 0.284 . . . . 0.0 111.103 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -70.39 -47.03 62.78 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.13 -37.13 86.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.354 0.597 . . . . 0.0 109.687 175.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.97 -40.2 95.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.501 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.64 -41.41 90.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.51 -40.67 69.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.374 177.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -63.93 -48.22 77.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.38 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -59.81 -32.82 71.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.255 0.55 . . . . 0.0 110.078 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -67.06 -54.59 20.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.184 177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -66.11 -31.6 72.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.168 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.86 -41.54 97.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.69 -35.81 80.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.716 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.65 -28.84 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.296 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -80.52 -36.26 33.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.069 0.461 . . . . 0.0 110.556 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 CA-C-N 116.315 -0.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.476 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -60.81 117.9 4.71 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 123.17 2.58 . . . . 0.0 112.4 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.476 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 43.2 Cg_endo -77.46 144.1 22.44 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.223 1.949 . . . . 0.0 111.604 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -98.09 133.64 42.26 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HD2' ' HD2' ' A' ' 5' ' ' PRO . 24.4 tptm -67.12 118.91 60.38 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.744 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD2' ' HD2' ' A' ' 4' ' ' LYS . 11.3 Cg_endo -55.95 145.78 72.11 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.502 2.135 . . . . 0.0 112.441 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.88 121.92 17.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.929 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -82.04 115.5 57.82 Favored Pre-proline 0 C--N 1.321 -0.634 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -60.23 140.47 92.3 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.425 2.083 . . . . 0.0 111.281 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.38 -177.8 41.5 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.896 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -74.67 -2.42 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.271 0.558 . . . . 0.0 110.423 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -75.05 -14.82 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.994 172.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.18 164.63 12.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.485 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -80.76 153.18 72.89 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.822 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -53.36 -27.87 41.1 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.696 2.264 . . . . 0.0 112.201 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.94 -32.6 74.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -78.41 -32.34 48.64 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 17' ' ' LEU . 3.9 mm? -67.32 -35.69 79.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.455 173.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.37 90.92 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.302 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.6 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.485 174.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -61.94 -43.74 98.22 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.549 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -61.06 -34.82 75.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.797 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -71.42 -40.82 70.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.916 0.389 . . . . 0.0 109.968 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.13 -34.41 77.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.906 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.6 tp -63.19 -41.85 99.25 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.168 177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.91 96.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.8 178.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.87 -42.41 73.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.343 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -64.51 -50.24 68.17 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.355 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -62.42 -27.08 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.626 0.25 . . . . 0.0 110.626 -178.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -64.91 -53.03 52.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.9 175.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.59 -35.16 80.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.356 178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.21 -43.47 94.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.95 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.91 -28.1 69.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.02 -23.44 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -80.49 -32.7 36.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.156 0.503 . . . . 0.0 110.572 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 116.071 -0.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.97 121.78 10.58 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.063 2.509 . . . . 0.0 112.028 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -74.37 144.03 32.15 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.3 2.0 . . . . 0.0 112.526 -178.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.85 142.28 46.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.444 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -85.36 128.63 58.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -178.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.19 156.95 56.42 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.243 1.962 . . . . 0.0 111.866 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -74.73 127.42 33.1 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.909 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -82.53 116.75 65.6 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 120.889 0.376 . . . . 0.0 110.725 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HB2' ' CB ' ' A' ' 12' ' ' ALA . 72.0 Cg_endo -88.56 160.14 6.53 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.001 2.467 . . . . 0.0 111.74 174.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.99 -69.46 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.7 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -64.91 -67.19 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.175 0.512 . . . . 0.0 111.179 -175.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -91.24 41.64 1.07 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.026 -174.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.502 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . . . -138.83 169.06 18.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.041 -178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.2 p -100.56 155.41 36.39 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.746 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -55.88 -31.92 83.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.636 2.224 . . . . 0.0 112.013 174.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.05 -31.73 72.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.857 178.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -71.93 -35.91 69.77 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -64.95 -35.89 82.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.479 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 -44.7 94.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.078 0.466 . . . . 0.0 110.38 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.72 -42.07 97.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.576 176.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -61.16 -43.85 98.24 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 17' ' ' LEU . 50.2 mt-10 -61.74 -34.78 76.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.704 0.288 . . . . 0.0 110.633 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' ' 22' ' ' LYS . 2.8 tmmm? -70.78 -43.84 67.92 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -64.41 -38.68 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.264 0.554 . . . . 0.0 110.044 176.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.5 tp -64.67 -44.15 91.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.29 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.08 -39.57 90.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.644 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.87 82.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.181 177.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -64.26 -49.99 69.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.331 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -61.68 -32.18 72.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.932 0.396 . . . . 0.0 110.22 -178.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.05 -48.88 72.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.22 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.93 -33.87 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.838 177.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.87 -40.33 97.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.925 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.07 -32.52 73.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.199 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.04 -14.01 42.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -90.43 90.51 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.194 0.521 . . . . 0.0 110.217 -178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 116.172 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.409 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.144 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -54.34 115.98 2.75 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.928 2.418 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 35.1 Cg_endo -70.08 142.91 47.73 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.223 1.949 . . . . 0.0 112.215 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -88.56 127.04 35.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.054 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 38.7 ttpt -83.95 132.47 48.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.853 -179.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 4' ' ' LYS . 3.2 Cg_exo -74.01 161.24 41.55 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.019 1.813 . . . . 0.0 111.771 -178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.73 125.23 29.09 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.219 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -83.13 122.54 77.62 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.088 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.19 144.56 95.24 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.363 2.042 . . . . 0.0 111.268 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.62 -161.83 28.46 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.088 -175.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -77.4 -15.7 59.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.776 0.322 . . . . 0.0 110.793 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -86.25 8.39 21.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.02 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.27 157.47 19.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.539 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.6 p -85.3 156.02 59.92 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.776 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -55.3 -25.12 45.66 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.608 2.205 . . . . 0.0 111.884 175.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.83 -34.29 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.416 177.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -79.84 -32.17 40.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.793 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.78 -31.06 71.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.454 174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.18 -37.51 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.782 177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.2 82.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.327 176.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.86 -47.22 86.02 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.693 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.65 -28.47 69.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.042 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.3 tttm -68.76 -47.26 66.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.089 0.471 . . . . 0.0 110.155 174.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -71.46 -30.23 65.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.033 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.35 -40.0 94.99 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.067 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.51 90.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.79 -38.63 76.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.438 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -65.04 -46.69 80.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.816 178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -60.82 -30.96 70.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -65.27 -48.38 73.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.806 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -66.74 -36.81 83.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.581 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.3 tp -61.87 -41.34 97.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.601 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.07 -31.48 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.247 178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.06 -27.19 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -88.03 67.79 9.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.508 0.671 . . . . 0.0 110.421 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.99 -0.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_